N-(cyclohexylmethyl)-N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide

C22H32N4O — CID 139004139

IUPACN-(cyclohexylmethyl)-N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
SMILESCN(CC1CCCCC1)C(=O)CN1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C22H32N4O/c1-25(15-17-6-3-2-4-7-17)21(27)16-26-12-9-18(10-13-26)20-14-24-22-19(20)8-5-11-23-22/h5,8,11,14,17-18H,2-4,6-7,9-10,12-13,15-16H2,1H3,(H,23,24)
InChIKeyNXCABTIMVYNBES-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.78
Rot. Bonds5

About N-(cyclohexylmethyl)-N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide

N-(cyclohexylmethyl)-N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide (PubChem CID 139004139) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
PubChem CID139004139
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC NameN-(cyclohexylmethyl)-N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
SMILESCN(CC1CCCCC1)C(=O)CN1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C22H32N4O/c1-25(15-17-6-3-2-4-7-17)21(27)16-26-12-9-18(10-13-26)20-14-24-22-19(20)8-5-11-23-22/h5,8,11,14,17-18H,2-4,6-7,9-10,12-13,15-16H2,1H3,(H,23,24)
InChIKeyNXCABTIMVYNBES-UHFFFAOYSA-N
XLogP3.78
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid
CID 136516251
N-(2-acetylphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
CID 167880702
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidine-1-carbonyl fluoride
CID 89186227
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
CID 167964832
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-amine
CID 121426655
N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 155946909
(1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 164634122
(E)-3-(3,4-dichlorophenyl)-1-[4-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 44534044
(4-methoxyphenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749250
N-[4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 162749484
tert-butyl (3S)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxylate
CID 124566469
[4-(methylsulfanylmethyl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 87010084

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide (CID 139004139) is N-(cyclohexylmethyl)-N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide is CN(CC1CCCCC1)C(=O)CN1CCC(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide?
The InChIKey is NXCABTIMVYNBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-25(15-17-6-3-2-4-7-17)21(27)16-26-12-9-18(10-13-26)20-14-24-22-19(20)8-5-11-23-22/h5,8,11,14,17-18H,2-4,6-7,9-10,12-13,15-16H2,1H3,(H,23,24).
What are the key properties of N-(cyclohexylmethyl)-N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide?
N-(cyclohexylmethyl)-N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide has a molecular weight of 368.53 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 139004139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).