1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide

C27H31N5O — CID 25305180

IUPAC1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)Nc3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)c(C)n1
InChIInChI=1S/C27H31N5O/c1-3-32-18-23(19(2)30-32)17-31-14-12-21(13-15-31)27(33)28-24-10-8-20(9-11-24)26-16-22-6-4-5-7-25(22)29-26/h4-11,16,18,21,29H,3,12-15,17H2,1-2H3,(H,28,33)
InChIKeyVKTFKMGVNVNUGY-UHFFFAOYSA-N
MW441.58 g/mol
LogP5.21
Rot. Bonds6

About 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide

1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide (PubChem CID 25305180) has the molecular formula C27H31N5O and a molecular weight of 441.58 g/mol. Its IUPAC name is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide
PubChem CID25305180
Molecular FormulaC27H31N5O
Molecular Weight441.58 g/mol
Exact Mass441.25
IUPAC Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)Nc3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)c(C)n1
InChIInChI=1S/C27H31N5O/c1-3-32-18-23(19(2)30-32)17-31-14-12-21(13-15-31)27(33)28-24-10-8-20(9-11-24)26-16-22-6-4-5-7-25(22)29-26/h4-11,16,18,21,29H,3,12-15,17H2,1-2H3,(H,28,33)
InChIKeyVKTFKMGVNVNUGY-UHFFFAOYSA-N
XLogP5.21
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1H-indol-2-yl)phenyl]-1-propylpiperidine-4-carboxamide
CID 26324558
N-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 42192300
N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide
CID 20934546
N-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide
CID 45216009
1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide
CID 51118445
(2S)-1-(cyclopropanecarbonyl)-N-[4-(1H-indol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 42241508
methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 72859425
(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 25302072
N-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24817005
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2,3-difluorophenyl)methyl]piperidine-4-carboxamide
CID 42290175
N-benzyl-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
CID 110199726
N-(3,5-dimethylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 43919238

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide (CID 25305180) is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide is CCn1cc(CN2CCC(C(=O)Nc3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)c(C)n1.
What is the InChIKey of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is VKTFKMGVNVNUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O/c1-3-32-18-23(19(2)30-32)17-31-14-12-21(13-15-31)27(33)28-24-10-8-20(9-11-24)26-16-22-6-4-5-7-25(22)29-26/h4-11,16,18,21,29H,3,12-15,17H2,1-2H3,(H,28,33).
What are the key properties of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide?
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 25305180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).