(3R)-1-(4-chloro-1H-indole-2-carbonyl)-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide

C20H22ClN5O3 — CID 124948732

IUPAC(3R)-1-(4-chloro-1H-indole-2-carbonyl)-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCc1nonc1CNC(=O)[C@]1(C)CCCN(C(=O)c2cc3c(Cl)cccc3[nH]2)C1
InChIInChI=1S/C20H22ClN5O3/c1-12-17(25-29-24-12)10-22-19(28)20(2)7-4-8-26(11-20)18(27)16-9-13-14(21)5-3-6-15(13)23-16/h3,5-6,9,23H,4,7-8,10-11H2,1-2H3,(H,22,28)/t20-/m1/s1
InChIKeyCPBVAGYMHGOQLW-HXUWFJFHSA-N
MW415.88 g/mol
LogP3.07
Rot. Bonds4

About (3R)-1-(4-chloro-1H-indole-2-carbonyl)-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide

(3R)-1-(4-chloro-1H-indole-2-carbonyl)-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 124948732) has the molecular formula C20H22ClN5O3 and a molecular weight of 415.88 g/mol. Its IUPAC name is (3R)-1-(4-chloro-1H-indole-2-carbonyl)-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-chloro-1H-indole-2-carbonyl)-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID124948732
Molecular FormulaC20H22ClN5O3
Molecular Weight415.88 g/mol
Exact Mass415.14
IUPAC Name(3R)-1-(4-chloro-1H-indole-2-carbonyl)-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCc1nonc1CNC(=O)[C@]1(C)CCCN(C(=O)c2cc3c(Cl)cccc3[nH]2)C1
InChIInChI=1S/C20H22ClN5O3/c1-12-17(25-29-24-12)10-22-19(28)20(2)7-4-8-26(11-20)18(27)16-9-13-14(21)5-3-6-15(13)23-16/h3,5-6,9,23H,4,7-8,10-11H2,1-2H3,(H,22,28)/t20-/m1/s1
InChIKeyCPBVAGYMHGOQLW-HXUWFJFHSA-N
XLogP3.07
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
CID 110085702
3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylpyridine-4-carbonyl)piperidine-3-carboxamide
CID 110085653
azetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone
CID 167907926
(3S)-1-(2-chlorobenzoyl)-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087455
(4-chloro-1H-indol-2-yl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
CID 56740995
(4-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 66572106
N-[5-(4-chloro-1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylcyclopropane-1-carboxamide
CID 142576556
(3S)-1-N-(3-chloro-2-methylphenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087988
(3S)-1-(2-chlorobenzoyl)-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087341
(3R)-1-(4-fluorobenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087682
(3R)-3-methyl-1-(3-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087371
1-(4-fluorobenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117206

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chloro-1H-indole-2-carbonyl)-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-chloro-1H-indole-2-carbonyl)-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide (CID 124948732) is (3R)-1-(4-chloro-1H-indole-2-carbonyl)-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-chloro-1H-indole-2-carbonyl)-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-chloro-1H-indole-2-carbonyl)-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide is Cc1nonc1CNC(=O)[C@]1(C)CCCN(C(=O)c2cc3c(Cl)cccc3[nH]2)C1.
What is the InChIKey of (3R)-1-(4-chloro-1H-indole-2-carbonyl)-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is CPBVAGYMHGOQLW-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22ClN5O3/c1-12-17(25-29-24-12)10-22-19(28)20(2)7-4-8-26(11-20)18(27)16-9-13-14(21)5-3-6-15(13)23-16/h3,5-6,9,23H,4,7-8,10-11H2,1-2H3,(H,22,28)/t20-/m1/s1.
What are the key properties of (3R)-1-(4-chloro-1H-indole-2-carbonyl)-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide?
(3R)-1-(4-chloro-1H-indole-2-carbonyl)-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 415.88 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chloro-1H-indole-2-carbonyl)-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 124948732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).