N-[(4-chlorophenyl)methyl]-1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide

C24H29ClN4O — CID 53145612

IUPACN-[(4-chlorophenyl)methyl]-1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide
SMILESCCn1cc(CCN2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)c2cccnc21
InChIInChI=1S/C24H29ClN4O/c1-2-29-17-20(22-4-3-12-26-23(22)29)11-15-28-13-9-19(10-14-28)24(30)27-16-18-5-7-21(25)8-6-18/h3-8,12,17,19H,2,9-11,13-16H2,1H3,(H,27,30)
InChIKeyKRVNVRSOPJVGGD-UHFFFAOYSA-N
MW424.98 g/mol
LogP4.28
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 53145612) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID53145612
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide
SMILESCCn1cc(CCN2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)c2cccnc21
InChIInChI=1S/C24H29ClN4O/c1-2-29-17-20(22-4-3-12-26-23(22)29)11-15-28-13-9-19(10-14-28)24(30)27-16-18-5-7-21(25)8-6-18/h3-8,12,17,19H,2,9-11,13-16H2,1H3,(H,27,30)
InChIKeyKRVNVRSOPJVGGD-UHFFFAOYSA-N
XLogP4.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide
CID 53145554
1-[(2-chlorophenyl)methyl]-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45007673
[4-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 53145435
(2,4-dimethylphenyl)-[4-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone
CID 53145438
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920957
3-[2-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1-ethylpyrrolo[2,3-b]pyridine
CID 53145518
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442114
N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
CID 17152448
1-[(2R)-butan-2-yl]-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
CID 95095604
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55922959
6-chloro-N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 53144962
N-[(4-chlorophenyl)methyl]-1-(3-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
CID 50841322

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide (CID 53145612) is N-[(4-chlorophenyl)methyl]-1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide is CCn1cc(CCN2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)c2cccnc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is KRVNVRSOPJVGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O/c1-2-29-17-20(22-4-3-12-26-23(22)29)11-15-28-13-9-19(10-14-28)24(30)27-16-18-5-7-21(25)8-6-18/h3-8,12,17,19H,2,9-11,13-16H2,1H3,(H,27,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 424.98 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 53145612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).