N-[(1-benzylpiperidin-4-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide

C25H31N3O — CID 129055481

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide
SMILESCC(C)N(CC1CCN(Cc2ccccc2)CC1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C25H31N3O/c1-19(2)28(25(29)24-16-22-10-6-7-11-23(22)26-24)18-21-12-14-27(15-13-21)17-20-8-4-3-5-9-20/h3-11,16,19,21,26H,12-15,17-18H2,1-2H3
InChIKeyBDYVIELKTAKKCS-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.93
Rot. Bonds6

About N-[(1-benzylpiperidin-4-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide

N-[(1-benzylpiperidin-4-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide (PubChem CID 129055481) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide
PubChem CID129055481
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide
SMILESCC(C)N(CC1CCN(Cc2ccccc2)CC1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C25H31N3O/c1-19(2)28(25(29)24-16-22-10-6-7-11-23(22)26-24)18-21-12-14-27(15-13-21)17-20-8-4-3-5-9-20/h3-11,16,19,21,26H,12-15,17-18H2,1-2H3
InChIKeyBDYVIELKTAKKCS-UHFFFAOYSA-N
XLogP4.93
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-benzylpiperidin-4-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 159882608
N-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 140931172
N-benzyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 113207051
N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 140931219
N-(2-methylpropyl)-N-propan-2-yl-1H-indole-2-carboxamide
CID 55026359
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 129055670
N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-2-carboxamide
CID 61040144
[(3R,4S)-1-benzyl-3-ethyl-3-hydroxypiperidin-4-yl]-(1H-indol-2-yl)methanone
CID 639291
N-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931134
1H-indol-2-yl-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 26313190
N-(1-benzylpiperidin-4-yl)-1H-indol-2-amine
CID 141333919
N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide
CID 63707249

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide (CID 129055481) is N-[(1-benzylpiperidin-4-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide is CC(C)N(CC1CCN(Cc2ccccc2)CC1)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide?
The InChIKey is BDYVIELKTAKKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-19(2)28(25(29)24-16-22-10-6-7-11-23(22)26-24)18-21-12-14-27(15-13-21)17-20-8-4-3-5-9-20/h3-11,16,19,21,26H,12-15,17-18H2,1-2H3.
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide?
N-[(1-benzylpiperidin-4-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 129055481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).