(3S,5R)-5-amino-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide

C22H32N4O2 — CID 67273331

IUPAC(3S,5R)-5-amino-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide
SMILESCOCCCn1cc(CN(C(=O)[C@@H]2CNC[C@H](N)C2)C2CC2)c2ccccc21
InChIInChI=1S/C22H32N4O2/c1-28-10-4-9-25-14-17(20-5-2-3-6-21(20)25)15-26(19-7-8-19)22(27)16-11-18(23)13-24-12-16/h2-3,5-6,14,16,18-19,24H,4,7-13,15,23H2,1H3/t16-,18+/m0/s1
InChIKeyFGLIGOIFUHFBIN-FUHWJXTLSA-N
MW384.52 g/mol
LogP2.11
Rot. Bonds8

About (3S,5R)-5-amino-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide

(3S,5R)-5-amino-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide (PubChem CID 67273331) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is (3S,5R)-5-amino-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5R)-5-amino-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide
PubChem CID67273331
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name(3S,5R)-5-amino-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide
SMILESCOCCCn1cc(CN(C(=O)[C@@H]2CNC[C@H](N)C2)C2CC2)c2ccccc21
InChIInChI=1S/C22H32N4O2/c1-28-10-4-9-25-14-17(20-5-2-3-6-21(20)25)15-26(19-7-8-19)22(27)16-11-18(23)13-24-12-16/h2-3,5-6,14,16,18-19,24H,4,7-13,15,23H2,1H3/t16-,18+/m0/s1
InChIKeyFGLIGOIFUHFBIN-FUHWJXTLSA-N
XLogP2.11
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S,5R)-5-amino-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-methoxyethyl N-[5-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]piperidin-3-yl]carbamate
CID 69065258
(3S,5R)-N-cyclopropyl-5-(2,2-dimethylpropanoylamino)-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide
CID 15984478
N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]-5-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]piperidine-3-carboxamide
CID 69066967
(3S,5R)-5-N-cyclopropyl-3-N-(2-ethylbutyl)-5-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3,5-dicarboxamide
CID 24875443
(3R,5S)-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]-5-(3-methylbutanoylamino)piperidine-3-carboxamide
CID 118709235
tert-butyl N-[5-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]piperidin-3-yl]carbamate
CID 69066986
(3S,5R)-N-cyclopropyl-5-[(3,4-dimethoxybenzoyl)amino]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide
CID 15984534
(3S,5R)-5-N-cyclopropyl-3-N-[2-(4-hydroxyphenyl)ethyl]-5-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3,5-dicarboxamide
CID 24876002
5-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide
CID 69069346
(3S,5R)-5-[[[1-(benzylamino)-2-oxoethyl]amino]methyl]-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide
CID 143390498
9H-fluoren-9-ylmethyl 3-amino-5-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]piperidine-1-carboxylate
CID 69064234
(3R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 58170906

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-amino-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3S,5R)-5-amino-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide (CID 67273331) is (3S,5R)-5-amino-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S,5R)-5-amino-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S,5R)-5-amino-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide is COCCCn1cc(CN(C(=O)[C@@H]2CNC[C@H](N)C2)C2CC2)c2ccccc21.
What is the InChIKey of (3S,5R)-5-amino-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide?
The InChIKey is FGLIGOIFUHFBIN-FUHWJXTLSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-28-10-4-9-25-14-17(20-5-2-3-6-21(20)25)15-26(19-7-8-19)22(27)16-11-18(23)13-24-12-16/h2-3,5-6,14,16,18-19,24H,4,7-13,15,23H2,1H3/t16-,18+/m0/s1.
What are the key properties of (3S,5R)-5-amino-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide?
(3S,5R)-5-amino-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-amino-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 67273331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).