trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide

C22H29N5O2 — CID 70281046

IUPACtrans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
SMILESCc1cccnc1N1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)NC2(C#N)CC2)CC1
InChIInChI=1S/C22H29N5O2/c1-16-5-4-10-24-19(16)26-11-13-27(14-12-26)21(29)18-7-3-2-6-17(18)20(28)25-22(15-23)8-9-22/h4-5,10,17-18H,2-3,6-9,11-14H2,1H3,(H,25,28)/t17-,18-/m1/s1
InChIKeyBWODCNUYRMPNSK-QZTJIDSGSA-N
MW395.51 g/mol
LogP2.02
Rot. Bonds4

About trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide

trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide (PubChem CID 70281046) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
PubChem CID70281046
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Nametrans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
SMILESCc1cccnc1N1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)NC2(C#N)CC2)CC1
InChIInChI=1S/C22H29N5O2/c1-16-5-4-10-24-19(16)26-11-13-27(14-12-26)21(29)18-7-3-2-6-17(18)20(28)25-22(15-23)8-9-22/h4-5,10,17-18H,2-3,6-9,11-14H2,1H3,(H,25,28)/t17-,18-/m1/s1
InChIKeyBWODCNUYRMPNSK-QZTJIDSGSA-N
XLogP2.02
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-(3-pyridin-2-ylpyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 25133839
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(3,4-dimethoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 70276605
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 70693117
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 70280758
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 25129399
trans-(1S,2S)-N-[(3-methyl-2-pyridinyl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 96526857
trans-(1R,2R)-N-[(3-methyl-2-pyridinyl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 96526858
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-(7-cyano-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxamide
CID 25165624
N-tert-butyl-2-[(1R,2R)-2-[(1-cyanocyclopropyl)carbamoyl]cyclohexanecarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 25165627
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[(2R)-2-methyl-4-(4-methylsulfonylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 70274227
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-1-(3-fluoro-2-pyridinyl)-5-methylpyrazol-3-yl]cyclohexane-1-carboxamide
CID 118309029
N-(1-cyanocyclopropyl)-2-(spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)cyclohexane-1-carboxamide
CID 76559946

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide (CID 70281046) is trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide is Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)NC2(C#N)CC2)CC1.
What is the InChIKey of trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide?
The InChIKey is BWODCNUYRMPNSK-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-16-5-4-10-24-19(16)26-11-13-27(14-12-26)21(29)18-7-3-2-6-17(18)20(28)25-22(15-23)8-9-22/h4-5,10,17-18H,2-3,6-9,11-14H2,1H3,(H,25,28)/t17-,18-/m1/s1.
What are the key properties of trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide?
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 70281046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).