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

C25H27N5O — CID 24817005

IUPACN-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCn1cc(CN2CCCC(C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1
InChIInChI=1S/C25H27N5O/c1-29-15-18(14-26-29)16-30-11-5-8-21(17-30)25(31)27-22-9-4-7-19(12-22)24-13-20-6-2-3-10-23(20)28-24/h2-4,6-7,9-10,12-15,21,28H,5,8,11,16-17H2,1H3,(H,27,31)
InChIKeyACEBDVMGZIEHJD-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.42
Rot. Bonds5

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

N-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 24817005) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is N-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID24817005
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC NameN-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCn1cc(CN2CCCC(C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1
InChIInChI=1S/C25H27N5O/c1-29-15-18(14-26-29)16-30-11-5-8-21(17-30)25(31)27-22-9-4-7-19(12-22)24-13-20-6-2-3-10-23(20)28-24/h2-4,6-7,9-10,12-15,21,28H,5,8,11,16-17H2,1H3,(H,27,31)
InChIKeyACEBDVMGZIEHJD-UHFFFAOYSA-N
XLogP4.42
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 45193611
N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 45191889
(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 42592946
(3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 26401813
N-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 45197737
(3R)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methylsulfanylacetyl)piperidine-3-carboxamide
CID 26318167
(3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 25492836
N-[3-(1H-indol-2-yl)phenyl]-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide
CID 45243703
N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 45220000
(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide
CID 42565952
N-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 45253222

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide (CID 24817005) is N-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide is Cn1cc(CN2CCCC(C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1.
What is the InChIKey of N-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is ACEBDVMGZIEHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-29-15-18(14-26-29)16-30-11-5-8-21(17-30)25(31)27-22-9-4-7-19(12-22)24-13-20-6-2-3-10-23(20)28-24/h2-4,6-7,9-10,12-15,21,28H,5,8,11,16-17H2,1H3,(H,27,31).
What are the key properties of N-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
N-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 413.53 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24817005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).