1-(4-chlorophenyl)-N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide

C21H24ClN3O — CID 72884299

IUPAC1-(4-chlorophenyl)-N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1CCCN(c2ccncc2)C1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H24ClN3O/c22-18-5-3-17(4-6-18)21(9-10-21)20(26)24-14-16-2-1-13-25(15-16)19-7-11-23-12-8-19/h3-8,11-12,16H,1-2,9-10,13-15H2,(H,24,26)
InChIKeyOGGZVQLLHIDYDG-UHFFFAOYSA-N
MW369.90 g/mol
LogP3.80
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 72884299) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide
PubChem CID72884299
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name1-(4-chlorophenyl)-N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1CCCN(c2ccncc2)C1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H24ClN3O/c22-18-5-3-17(4-6-18)21(9-10-21)20(26)24-14-16-2-1-13-25(15-16)19-7-11-23-12-8-19/h3-8,11-12,16H,1-2,9-10,13-15H2,(H,24,26)
InChIKeyOGGZVQLLHIDYDG-UHFFFAOYSA-N
XLogP3.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 90621638
1-(4-chlorophenyl)-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 25288199
1-(4-chlorophenyl)-N-[[(3R)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 97280066
N-[[(3R)-1-(2-adamantyl)piperidin-3-yl]methyl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 26392564
1-(4-chlorophenyl)-N-[[(3R)-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 97274571
(3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882098
1-(4-chlorophenyl)-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 42401799
3-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 72920634
1-(4-chlorophenyl)-N-[[(3S)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 42379771
(3S)-3-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 97283033
[1-(4-chlorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31564704
tert-butyl N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]carbamate
CID 66805430

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide (CID 72884299) is 1-(4-chlorophenyl)-N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide is O=C(NCC1CCCN(c2ccncc2)C1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is OGGZVQLLHIDYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c22-18-5-3-17(4-6-18)21(9-10-21)20(26)24-14-16-2-1-13-25(15-16)19-7-11-23-12-8-19/h3-8,11-12,16H,1-2,9-10,13-15H2,(H,24,26).
What are the key properties of 1-(4-chlorophenyl)-N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 369.90 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 72884299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).