N-[4-(1H-indol-2-yl)phenyl]-1-propylpiperidine-4-carboxamide

C23H27N3O — CID 26324558

IUPACN-[4-(1H-indol-2-yl)phenyl]-1-propylpiperidine-4-carboxamide
SMILESCCCN1CCC(C(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)CC1
InChIInChI=1S/C23H27N3O/c1-2-13-26-14-11-18(12-15-26)23(27)24-20-9-7-17(8-10-20)22-16-19-5-3-4-6-21(19)25-22/h3-10,16,18,25H,2,11-15H2,1H3,(H,24,27)
InChIKeyXCEVCCHXOGZRCE-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.90
Rot. Bonds5

About N-[4-(1H-indol-2-yl)phenyl]-1-propylpiperidine-4-carboxamide

N-[4-(1H-indol-2-yl)phenyl]-1-propylpiperidine-4-carboxamide (PubChem CID 26324558) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[4-(1H-indol-2-yl)phenyl]-1-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-indol-2-yl)phenyl]-1-propylpiperidine-4-carboxamide
PubChem CID26324558
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-[4-(1H-indol-2-yl)phenyl]-1-propylpiperidine-4-carboxamide
SMILESCCCN1CCC(C(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)CC1
InChIInChI=1S/C23H27N3O/c1-2-13-26-14-11-18(12-15-26)23(27)24-20-9-7-17(8-10-20)22-16-19-5-3-4-6-21(19)25-22/h3-10,16,18,25H,2,11-15H2,1H3,(H,24,27)
InChIKeyXCEVCCHXOGZRCE-UHFFFAOYSA-N
XLogP4.90
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide
CID 20934546
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide
CID 25305180
N-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide
CID 45216009
methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 72859425
1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea
CID 46380950
N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 10026881
1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide
CID 26324213
(3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 26401813
(3R)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methylsulfanylacetyl)piperidine-3-carboxamide
CID 26318167
N-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 45197737
(2S)-N-[3-(1H-indol-2-yl)phenyl]-1-propanoylpyrrolidine-2-carboxamide
CID 26331142
N-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24817005

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-2-yl)phenyl]-1-propylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(1H-indol-2-yl)phenyl]-1-propylpiperidine-4-carboxamide (CID 26324558) is N-[4-(1H-indol-2-yl)phenyl]-1-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(1H-indol-2-yl)phenyl]-1-propylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(1H-indol-2-yl)phenyl]-1-propylpiperidine-4-carboxamide is CCCN1CCC(C(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)CC1.
What is the InChIKey of N-[4-(1H-indol-2-yl)phenyl]-1-propylpiperidine-4-carboxamide?
The InChIKey is XCEVCCHXOGZRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-2-13-26-14-11-18(12-15-26)23(27)24-20-9-7-17(8-10-20)22-16-19-5-3-4-6-21(19)25-22/h3-10,16,18,25H,2,11-15H2,1H3,(H,24,27).
What are the key properties of N-[4-(1H-indol-2-yl)phenyl]-1-propylpiperidine-4-carboxamide?
N-[4-(1H-indol-2-yl)phenyl]-1-propylpiperidine-4-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-2-yl)phenyl]-1-propylpiperidine-4-carboxamide is sourced from PubChem (CID 26324558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).