(5-chloro-1-propan-2-ylindol-2-yl)-piperidin-1-ylmethanone

C17H21ClN2O — CID 146604568

IUPAC(5-chloro-1-propan-2-ylindol-2-yl)-piperidin-1-ylmethanone
SMILESCC(C)n1c(C(=O)N2CCCCC2)cc2cc(Cl)ccc21
InChIInChI=1S/C17H21ClN2O/c1-12(2)20-15-7-6-14(18)10-13(15)11-16(20)17(21)19-8-4-3-5-9-19/h6-7,10-12H,3-5,8-9H2,1-2H3
InChIKeyNUYPSPXGQCPPPM-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.50
Rot. Bonds2

About (5-chloro-1-propan-2-ylindol-2-yl)-piperidin-1-ylmethanone

(5-chloro-1-propan-2-ylindol-2-yl)-piperidin-1-ylmethanone (PubChem CID 146604568) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is (5-chloro-1-propan-2-ylindol-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-chloro-1-propan-2-ylindol-2-yl)-piperidin-1-ylmethanone
PubChem CID146604568
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name(5-chloro-1-propan-2-ylindol-2-yl)-piperidin-1-ylmethanone
SMILESCC(C)n1c(C(=O)N2CCCCC2)cc2cc(Cl)ccc21
InChIInChI=1S/C17H21ClN2O/c1-12(2)20-15-7-6-14(18)10-13(15)11-16(20)17(21)19-8-4-3-5-9-19/h6-7,10-12H,3-5,8-9H2,1-2H3
InChIKeyNUYPSPXGQCPPPM-UHFFFAOYSA-N
XLogP4.50
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone
CID 141372490
4-[1-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylic acid
CID 141212145
5-chloro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117177143
2-(5-chloro-1-propan-2-ylindol-2-yl)acetic acid
CID 117121626
5-chloro-1-methyl-N'-(4-oxo-4-piperidin-1-ylbutanoyl)indole-2-carbohydrazide
CID 3972917
[2-(1,1-dihydroxy-1,4-thiazinane-4-carbonyl)-1-propan-2-ylindol-5-yl]-[3-(dimethylamino)piperidin-1-yl]methanone
CID 174565317
(1,5-dimethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 7329070
[2-(4,4-difluoropiperidine-1-carbonyl)-1-propan-2-ylindol-5-yl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 68683672
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
[5-chloro-1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 155568608
methyl 4-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]piperazine-1-carboxylate
CID 24959291
[2-(4,4-difluoropiperidine-1-carbonyl)-1-propan-2-ylindol-5-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 68682524

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-propan-2-ylindol-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (5-chloro-1-propan-2-ylindol-2-yl)-piperidin-1-ylmethanone (CID 146604568) is (5-chloro-1-propan-2-ylindol-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-chloro-1-propan-2-ylindol-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-chloro-1-propan-2-ylindol-2-yl)-piperidin-1-ylmethanone is CC(C)n1c(C(=O)N2CCCCC2)cc2cc(Cl)ccc21.
What is the InChIKey of (5-chloro-1-propan-2-ylindol-2-yl)-piperidin-1-ylmethanone?
The InChIKey is NUYPSPXGQCPPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-12(2)20-15-7-6-14(18)10-13(15)11-16(20)17(21)19-8-4-3-5-9-19/h6-7,10-12H,3-5,8-9H2,1-2H3.
What are the key properties of (5-chloro-1-propan-2-ylindol-2-yl)-piperidin-1-ylmethanone?
(5-chloro-1-propan-2-ylindol-2-yl)-piperidin-1-ylmethanone has a molecular weight of 304.82 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-propan-2-ylindol-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 146604568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).