3-[cyclopropyl-[(5-ethyl-1H-indol-2-yl)methylcarbamoyl]amino]piperidine-1-carboxamide

C21H29N5O2 — CID 176708330

IUPAC3-[cyclopropyl-[(5-ethyl-1H-indol-2-yl)methylcarbamoyl]amino]piperidine-1-carboxamide
SMILESCCc1ccc2[nH]c(CNC(=O)N(C3CC3)C3CCCN(C(N)=O)C3)cc2c1
InChIInChI=1S/C21H29N5O2/c1-2-14-5-8-19-15(10-14)11-16(24-19)12-23-21(28)26(17-6-7-17)18-4-3-9-25(13-18)20(22)27/h5,8,10-11,17-18,24H,2-4,6-7,9,12-13H2,1H3,(H2,22,27)(H,23,28)
InChIKeyPVYCKCQBZSPLBD-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.95
Rot. Bonds5

About 3-[cyclopropyl-[(5-ethyl-1H-indol-2-yl)methylcarbamoyl]amino]piperidine-1-carboxamide

3-[cyclopropyl-[(5-ethyl-1H-indol-2-yl)methylcarbamoyl]amino]piperidine-1-carboxamide (PubChem CID 176708330) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 3-[cyclopropyl-[(5-ethyl-1H-indol-2-yl)methylcarbamoyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[cyclopropyl-[(5-ethyl-1H-indol-2-yl)methylcarbamoyl]amino]piperidine-1-carboxamide
PubChem CID176708330
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name3-[cyclopropyl-[(5-ethyl-1H-indol-2-yl)methylcarbamoyl]amino]piperidine-1-carboxamide
SMILESCCc1ccc2[nH]c(CNC(=O)N(C3CC3)C3CCCN(C(N)=O)C3)cc2c1
InChIInChI=1S/C21H29N5O2/c1-2-14-5-8-19-15(10-14)11-16(24-19)12-23-21(28)26(17-6-7-17)18-4-3-9-25(13-18)20(22)27/h5,8,10-11,17-18,24H,2-4,6-7,9,12-13H2,1H3,(H2,22,27)(H,23,28)
InChIKeyPVYCKCQBZSPLBD-UHFFFAOYSA-N
XLogP2.95
TPSA94.46 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(5-chloro-6-fluoro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide
CID 176708435
(3R)-3-[(5-bromo-3-fluoro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]piperidine-1-carboxamide
CID 176708355
1-[(3R)-1-acetylpiperidin-3-yl]-3-[(5-cyclopropyl-1H-indol-2-yl)methyl]-1-methylurea
CID 171644381
3-[(5-chloro-1H-indol-2-yl)methyl]-1-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]-1-methylurea
CID 171644198
(3R)-3-[carbamoyl(cyclopropyl)amino]-N-[(4-ethyl-2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 170731630
3-[(6-cyanonaphthalen-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide
CID 176713128
3-[(5-chloro-1H-indol-2-yl)methyl]-1-[(3R)-1-(3-hydroxypropanoyl)piperidin-3-yl]-1-methylurea
CID 171644210
3-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-1-[1-(1-methylazetidine-3-carbonyl)piperidin-3-yl]urea
CID 171644204
3-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-1-[(3R)-1-(3-oxocyclopentanecarbonyl)piperidin-3-yl]urea
CID 171643945
3-[(5-chloro-1H-indol-2-yl)methyl]-1-[(3R)-1-(2,3-dihydroxypropanoyl)piperidin-3-yl]-1-methylurea
CID 171644500
3-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-1-[1-(oxolane-2-carbonyl)piperidin-3-yl]urea
CID 171644600
3-[(5-chloro-1H-indol-2-yl)methyl]-1-[(3R)-1-(3,3-difluorocyclobutanecarbonyl)piperidin-3-yl]-1-methylurea
CID 171644340

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(5-ethyl-1H-indol-2-yl)methylcarbamoyl]amino]piperidine-1-carboxamide?
The IUPAC name of 3-[cyclopropyl-[(5-ethyl-1H-indol-2-yl)methylcarbamoyl]amino]piperidine-1-carboxamide (CID 176708330) is 3-[cyclopropyl-[(5-ethyl-1H-indol-2-yl)methylcarbamoyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for 3-[cyclopropyl-[(5-ethyl-1H-indol-2-yl)methylcarbamoyl]amino]piperidine-1-carboxamide?
The canonical SMILES for 3-[cyclopropyl-[(5-ethyl-1H-indol-2-yl)methylcarbamoyl]amino]piperidine-1-carboxamide is CCc1ccc2[nH]c(CNC(=O)N(C3CC3)C3CCCN(C(N)=O)C3)cc2c1.
What is the InChIKey of 3-[cyclopropyl-[(5-ethyl-1H-indol-2-yl)methylcarbamoyl]amino]piperidine-1-carboxamide?
The InChIKey is PVYCKCQBZSPLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-2-14-5-8-19-15(10-14)11-16(24-19)12-23-21(28)26(17-6-7-17)18-4-3-9-25(13-18)20(22)27/h5,8,10-11,17-18,24H,2-4,6-7,9,12-13H2,1H3,(H2,22,27)(H,23,28).
What are the key properties of 3-[cyclopropyl-[(5-ethyl-1H-indol-2-yl)methylcarbamoyl]amino]piperidine-1-carboxamide?
3-[cyclopropyl-[(5-ethyl-1H-indol-2-yl)methylcarbamoyl]amino]piperidine-1-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(5-ethyl-1H-indol-2-yl)methylcarbamoyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 176708330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).