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

C27H36N4O — CID 26360963

IUPACN-cyclopentyl-4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]benzamide
SMILESCN1CCc2cc(CNC3CCN(c4ccc(C(=O)NC5CCCC5)cc4)CC3)ccc21
InChIInChI=1S/C27H36N4O/c1-30-15-12-22-18-20(6-11-26(22)30)19-28-23-13-16-31(17-14-23)25-9-7-21(8-10-25)27(32)29-24-4-2-3-5-24/h6-11,18,23-24,28H,2-5,12-17,19H2,1H3,(H,29,32)
InChIKeyDDRPJQIDLJYRCM-UHFFFAOYSA-N
MW432.61 g/mol
LogP4.11
Rot. Bonds6

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

N-cyclopentyl-4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]benzamide (PubChem CID 26360963) has the molecular formula C27H36N4O and a molecular weight of 432.61 g/mol. Its IUPAC name is N-cyclopentyl-4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]benzamide
PubChem CID26360963
Molecular FormulaC27H36N4O
Molecular Weight432.61 g/mol
Exact Mass432.29
IUPAC NameN-cyclopentyl-4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]benzamide
SMILESCN1CCc2cc(CNC3CCN(c4ccc(C(=O)NC5CCCC5)cc4)CC3)ccc21
InChIInChI=1S/C27H36N4O/c1-30-15-12-22-18-20(6-11-26(22)30)19-28-23-13-16-31(17-14-23)25-9-7-21(8-10-25)27(32)29-24-4-2-3-5-24/h6-11,18,23-24,28H,2-5,12-17,19H2,1H3,(H,29,32)
InChIKeyDDRPJQIDLJYRCM-UHFFFAOYSA-N
XLogP4.11
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 54.11
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

4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]-N-pentan-3-ylbenzamide
CID 176964380
4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclohexan-1-ol
CID 55034873
N-cyclopentyl-4-[4-[(4-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]benzamide
CID 42485205
N-cyclopentyl-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 166847333
N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837305
4-[[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]methyl]benzoic acid
CID 122030606
[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclopentyl]methanol
CID 103838416
N-cyclopentyl-4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]benzamide
CID 42434130
4-ethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine
CID 63453890
N-cyclopentyl-4-[4-[[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]benzamide
CID 42480876
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
4-(4-hydroxypiperidin-1-yl)-N-(1-propylpiperidin-4-yl)benzamide
CID 111331639

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]benzamide?
The IUPAC name of N-cyclopentyl-4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]benzamide (CID 26360963) is N-cyclopentyl-4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]benzamide?
The canonical SMILES for N-cyclopentyl-4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]benzamide is CN1CCc2cc(CNC3CCN(c4ccc(C(=O)NC5CCCC5)cc4)CC3)ccc21.
What is the InChIKey of N-cyclopentyl-4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]benzamide?
The InChIKey is DDRPJQIDLJYRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O/c1-30-15-12-22-18-20(6-11-26(22)30)19-28-23-13-16-31(17-14-23)25-9-7-21(8-10-25)27(32)29-24-4-2-3-5-24/h6-11,18,23-24,28H,2-5,12-17,19H2,1H3,(H,29,32).
What are the key properties of N-cyclopentyl-4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]benzamide?
N-cyclopentyl-4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]benzamide has a molecular weight of 432.61 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]benzamide is sourced from PubChem (CID 26360963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).