2-(3-aminopropoxy)-N-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-methylbenzamide

C20H29N3O3 — CID 126442911

IUPAC2-(3-aminopropoxy)-N-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H]2CCCN(C(=O)C3CC3)C2)c(OCCCN)c1
InChIInChI=1S/C20H29N3O3/c1-14-5-8-17(18(12-14)26-11-3-9-21)19(24)22-16-4-2-10-23(13-16)20(25)15-6-7-15/h5,8,12,15-16H,2-4,6-7,9-11,13,21H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyHNTVJYGPDKPJLC-MRXNPFEDSA-N
MW359.47 g/mol
LogP1.85
Rot. Bonds7

About 2-(3-aminopropoxy)-N-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-methylbenzamide

2-(3-aminopropoxy)-N-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-methylbenzamide (PubChem CID 126442911) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-N-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-methylbenzamide.

Molecular Properties

Compound Name2-(3-aminopropoxy)-N-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-methylbenzamide
PubChem CID126442911
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-(3-aminopropoxy)-N-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H]2CCCN(C(=O)C3CC3)C2)c(OCCCN)c1
InChIInChI=1S/C20H29N3O3/c1-14-5-8-17(18(12-14)26-11-3-9-21)19(24)22-16-4-2-10-23(13-16)20(25)15-6-7-15/h5,8,12,15-16H,2-4,6-7,9-11,13,21H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyHNTVJYGPDKPJLC-MRXNPFEDSA-N
XLogP1.85
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-aminopropoxy)-N-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-methylbenzamide 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-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide
CID 110871467
3-(2,5-dimethylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575112
(3S)-1-[2-(3-aminopropoxy)-4-methylbenzoyl]-3-methylpiperidine-3-carbonitrile
CID 126436648
2-(3-aminopropoxy)-4-chloro-N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]benzamide
CID 119067669
2-(3-aminopropoxy)-4-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]benzamide
CID 125179193
N-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide
CID 125159540
cyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 110638549
7-methyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-2,3-dihydro-1H-indene-4-carboxamide
CID 128582261
acetic acid;[2-(3-aminopropoxy)-4-chlorophenyl]-pyrrolidin-1-ylmethanone
CID 154906698
2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride
CID 119945821
2-(2,5-dimethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134026636
2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide
CID 118784879

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)-N-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-methylbenzamide?
The IUPAC name of 2-(3-aminopropoxy)-N-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-methylbenzamide (CID 126442911) is 2-(3-aminopropoxy)-N-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-methylbenzamide.
What is the SMILES notation for 2-(3-aminopropoxy)-N-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-methylbenzamide?
The canonical SMILES for 2-(3-aminopropoxy)-N-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)C3CC3)C2)c(OCCCN)c1.
What is the InChIKey of 2-(3-aminopropoxy)-N-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-methylbenzamide?
The InChIKey is HNTVJYGPDKPJLC-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14-5-8-17(18(12-14)26-11-3-9-21)19(24)22-16-4-2-10-23(13-16)20(25)15-6-7-15/h5,8,12,15-16H,2-4,6-7,9-11,13,21H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of 2-(3-aminopropoxy)-N-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-methylbenzamide?
2-(3-aminopropoxy)-N-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-methylbenzamide has a molecular weight of 359.47 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-N-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-methylbenzamide is sourced from PubChem (CID 126442911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).