1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1H-indol-4-ylmethyl)piperidine-3-carboxamide

C24H32N4O2 — CID 45212843

IUPAC1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1H-indol-4-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccc2[nH]ccc12)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C24H32N4O2/c29-23(26-15-18-3-1-5-22-21(18)8-11-25-22)19-4-2-12-28(16-19)20-9-13-27(14-10-20)24(30)17-6-7-17/h1,3,5,8,11,17,19-20,25H,2,4,6-7,9-10,12-16H2,(H,26,29)
InChIKeyJJALNJIHWGPKTG-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.90
Rot. Bonds5

About 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1H-indol-4-ylmethyl)piperidine-3-carboxamide

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1H-indol-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 45212843) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1H-indol-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1H-indol-4-ylmethyl)piperidine-3-carboxamide
PubChem CID45212843
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1H-indol-4-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccc2[nH]ccc12)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C24H32N4O2/c29-23(26-15-18-3-1-5-22-21(18)8-11-25-22)19-4-2-12-28(16-19)20-9-13-27(14-10-20)24(30)17-6-7-17/h1,3,5,8,11,17,19-20,25H,2,4,6-7,9-10,12-16H2,(H,26,29)
InChIKeyJJALNJIHWGPKTG-UHFFFAOYSA-N
XLogP2.90
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 28731376
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 95563646
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 95539357
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 56880438
cyclopropyl-[(3R,4R)-3-ethyl-4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone
CID 97097541
(3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 40899994
(3R)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 96575197
(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95561373
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 95555582
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide
CID 95398944
N-(1H-indol-4-ylmethyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 24790535
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 56867752

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1H-indol-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1H-indol-4-ylmethyl)piperidine-3-carboxamide (CID 45212843) is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1H-indol-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1H-indol-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1H-indol-4-ylmethyl)piperidine-3-carboxamide is O=C(NCc1cccc2[nH]ccc12)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1H-indol-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is JJALNJIHWGPKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c29-23(26-15-18-3-1-5-22-21(18)8-11-25-22)19-4-2-12-28(16-19)20-9-13-27(14-10-20)24(30)17-6-7-17/h1,3,5,8,11,17,19-20,25H,2,4,6-7,9-10,12-16H2,(H,26,29).
What are the key properties of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1H-indol-4-ylmethyl)piperidine-3-carboxamide?
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1H-indol-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1H-indol-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 45212843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).