4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]-N-pentan-3-ylbenzamide

C27H38N4O — CID 176964380

IUPAC4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1ccc(N2CCC(NCc3ccc4c(c3)CCN4C)CC2)cc1
InChIInChI=1S/C27H38N4O/c1-4-23(5-2)29-27(32)21-7-9-25(10-8-21)31-16-13-24(14-17-31)28-19-20-6-11-26-22(18-20)12-15-30(26)3/h6-11,18,23-24,28H,4-5,12-17,19H2,1-3H3,(H,29,32)
InChIKeyKLFLQNHYFMNUOE-UHFFFAOYSA-N
MW434.63 g/mol
LogP4.36
Rot. Bonds8

About 4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]-N-pentan-3-ylbenzamide

4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]-N-pentan-3-ylbenzamide (PubChem CID 176964380) has the molecular formula C27H38N4O and a molecular weight of 434.63 g/mol. Its IUPAC name is 4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]-N-pentan-3-ylbenzamide
PubChem CID176964380
Molecular FormulaC27H38N4O
Molecular Weight434.63 g/mol
Exact Mass434.30
IUPAC Name4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1ccc(N2CCC(NCc3ccc4c(c3)CCN4C)CC2)cc1
InChIInChI=1S/C27H38N4O/c1-4-23(5-2)29-27(32)21-7-9-25(10-8-21)31-16-13-24(14-17-31)28-19-20-6-11-26-22(18-20)12-15-30(26)3/h6-11,18,23-24,28H,4-5,12-17,19H2,1-3H3,(H,29,32)
InChIKeyKLFLQNHYFMNUOE-UHFFFAOYSA-N
XLogP4.36
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.63
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]benzamide
CID 26360963
4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclohexan-1-ol
CID 55034873
2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 110481403
4-[[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]methyl]benzoic acid
CID 122030606
4-ethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine
CID 63453890
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 62070504
[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclopentyl]methanol
CID 103838416
2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 62096350
1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 58575703
2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine
CID 82725756
ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate
CID 110479362
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-phenylacetamide
CID 110483038

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]-N-pentan-3-ylbenzamide?
The IUPAC name of 4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]-N-pentan-3-ylbenzamide (CID 176964380) is 4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]-N-pentan-3-ylbenzamide.
What is the SMILES notation for 4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]-N-pentan-3-ylbenzamide?
The canonical SMILES for 4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]-N-pentan-3-ylbenzamide is CCC(CC)NC(=O)c1ccc(N2CCC(NCc3ccc4c(c3)CCN4C)CC2)cc1.
What is the InChIKey of 4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]-N-pentan-3-ylbenzamide?
The InChIKey is KLFLQNHYFMNUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O/c1-4-23(5-2)29-27(32)21-7-9-25(10-8-21)31-16-13-24(14-17-31)28-19-20-6-11-26-22(18-20)12-15-30(26)3/h6-11,18,23-24,28H,4-5,12-17,19H2,1-3H3,(H,29,32).
What are the key properties of 4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]-N-pentan-3-ylbenzamide?
4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]-N-pentan-3-ylbenzamide has a molecular weight of 434.63 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]-N-pentan-3-ylbenzamide is sourced from PubChem (CID 176964380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).