N-(1-acetylpiperidin-4-yl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide

C26H30ClN5O2 — CID 90412720

IUPACN-(1-acetylpiperidin-4-yl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
SMILESCC(=O)N1CCC(NC(=O)N2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)CC1
InChIInChI=1S/C26H30ClN5O2/c1-18(33)30-14-9-21(10-15-30)29-26(34)31-12-7-19(8-13-31)24-17-32(22-4-2-20(27)3-5-22)25-16-28-11-6-23(24)25/h2-6,11,16-17,19,21H,7-10,12-15H2,1H3,(H,29,34)
InChIKeyMYOGYIHQZYXBGF-UHFFFAOYSA-N
MW480.01 g/mol
LogP4.58
Rot. Bonds3

About N-(1-acetylpiperidin-4-yl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide

N-(1-acetylpiperidin-4-yl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide (PubChem CID 90412720) has the molecular formula C26H30ClN5O2 and a molecular weight of 480.01 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
PubChem CID90412720
Molecular FormulaC26H30ClN5O2
Molecular Weight480.01 g/mol
Exact Mass479.21
IUPAC NameN-(1-acetylpiperidin-4-yl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
SMILESCC(=O)N1CCC(NC(=O)N2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)CC1
InChIInChI=1S/C26H30ClN5O2/c1-18(33)30-14-9-21(10-15-30)29-26(34)31-12-7-19(8-13-31)24-17-32(22-4-2-20(27)3-5-22)25-16-28-11-6-23(24)25/h2-6,11,16-17,19,21H,7-10,12-15H2,1H3,(H,29,34)
InChIKeyMYOGYIHQZYXBGF-UHFFFAOYSA-N
XLogP4.58
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.01
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetylpiperidin-4-yl)-4-[1-(2-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-methylpiperazine
CID 129217021
[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 89451467
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]piperidine-1-carboxamide
CID 144553308
[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone;propane
CID 145325570
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide
CID 71516439
[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 90413829
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 71516373
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;4-propylmorpholine
CID 144974958
1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one
CID 159829945
N-cyclopropyl-4-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 113087241
4-[1-(4-chlorophenyl)-4-methoxypyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid
CID 89445059
2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone;hydrochloride
CID 160517458

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide (CID 90412720) is N-(1-acetylpiperidin-4-yl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide is CC(=O)N1CCC(NC(=O)N2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The InChIKey is MYOGYIHQZYXBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O2/c1-18(33)30-14-9-21(10-15-30)29-26(34)31-12-7-19(8-13-31)24-17-32(22-4-2-20(27)3-5-22)25-16-28-11-6-23(24)25/h2-6,11,16-17,19,21H,7-10,12-15H2,1H3,(H,29,34).
What are the key properties of N-(1-acetylpiperidin-4-yl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
N-(1-acetylpiperidin-4-yl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide has a molecular weight of 480.01 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 90412720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).