N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide

C20H29N5O2 — CID 126453634

IUPACN-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESO=C(NC[C@H]1CCCN(C(=O)C2CC2)C1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C20H29N5O2/c26-19(17-3-4-17)25-9-1-2-16(15-25)14-22-20(27)24-12-10-23(11-13-24)18-5-7-21-8-6-18/h5-8,16-17H,1-4,9-15H2,(H,22,27)/t16-/m1/s1
InChIKeyLXXWVFYGEWHRPA-MRXNPFEDSA-N
MW371.49 g/mol
LogP1.56
Rot. Bonds4

About N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide

N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 126453634) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID126453634
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESO=C(NC[C@H]1CCCN(C(=O)C2CC2)C1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C20H29N5O2/c26-19(17-3-4-17)25-9-1-2-16(15-25)14-22-20(27)24-12-10-23(11-13-24)18-5-7-21-8-6-18/h5-8,16-17H,1-4,9-15H2,(H,22,27)/t16-/m1/s1
InChIKeyLXXWVFYGEWHRPA-MRXNPFEDSA-N
XLogP1.56
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide with MolForge

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Related Compounds

cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 125444699
N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperidine-1-carboxamide
CID 126423425
(3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride
CID 22721764
N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47117590
3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid
CID 21462701
N-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 126439808
4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 47016737
N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 118779682
tert-butyl N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]carbamate
CID 66805430
N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86831395
2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108728

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide (CID 126453634) is N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide is O=C(NC[C@H]1CCCN(C(=O)C2CC2)C1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is LXXWVFYGEWHRPA-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29N5O2/c26-19(17-3-4-17)25-9-1-2-16(15-25)14-22-20(27)24-12-10-23(11-13-24)18-5-7-21-8-6-18/h5-8,16-17H,1-4,9-15H2,(H,22,27)/t16-/m1/s1.
What are the key properties of N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 126453634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).