1-[3-(azocan-1-yl)propanoyl]-N-(3-hydroxypropyl)piperidine-3-carboxamide

C19H35N3O3 — CID 47000053

IUPAC1-[3-(azocan-1-yl)propanoyl]-N-(3-hydroxypropyl)piperidine-3-carboxamide
SMILESO=C(NCCCO)C1CCCN(C(=O)CCN2CCCCCCC2)C1
InChIInChI=1S/C19H35N3O3/c23-15-7-10-20-19(25)17-8-6-13-22(16-17)18(24)9-14-21-11-4-2-1-3-5-12-21/h17,23H,1-16H2,(H,20,25)
InChIKeyXPDHKGZNFOJSJQ-UHFFFAOYSA-N
MW353.51 g/mol
LogP1.38
Rot. Bonds7

About 1-[3-(azocan-1-yl)propanoyl]-N-(3-hydroxypropyl)piperidine-3-carboxamide

1-[3-(azocan-1-yl)propanoyl]-N-(3-hydroxypropyl)piperidine-3-carboxamide (PubChem CID 47000053) has the molecular formula C19H35N3O3 and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-[3-(azocan-1-yl)propanoyl]-N-(3-hydroxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(azocan-1-yl)propanoyl]-N-(3-hydroxypropyl)piperidine-3-carboxamide
PubChem CID47000053
Molecular FormulaC19H35N3O3
Molecular Weight353.51 g/mol
Exact Mass353.27
IUPAC Name1-[3-(azocan-1-yl)propanoyl]-N-(3-hydroxypropyl)piperidine-3-carboxamide
SMILESO=C(NCCCO)C1CCCN(C(=O)CCN2CCCCCCC2)C1
InChIInChI=1S/C19H35N3O3/c23-15-7-10-20-19(25)17-8-6-13-22(16-17)18(24)9-14-21-11-4-2-1-3-5-12-21/h17,23H,1-16H2,(H,20,25)
InChIKeyXPDHKGZNFOJSJQ-UHFFFAOYSA-N
XLogP1.38
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 119407805
(3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 95903528
1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78854856
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754
1,3-bis(azepan-1-yl)propan-1-one
CID 109033498
N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide
CID 119482463
3-(azocan-1-yl)-1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one
CID 46994863
N-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60554234
methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate
CID 60527593
N-(2-aminoethyl)-1-(2-hydroxyethyl)piperidine-3-carboxamide
CID 63253182
methyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate
CID 115538681

Frequently Asked Questions

What is the IUPAC name of 1-[3-(azocan-1-yl)propanoyl]-N-(3-hydroxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-[3-(azocan-1-yl)propanoyl]-N-(3-hydroxypropyl)piperidine-3-carboxamide (CID 47000053) is 1-[3-(azocan-1-yl)propanoyl]-N-(3-hydroxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(azocan-1-yl)propanoyl]-N-(3-hydroxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[3-(azocan-1-yl)propanoyl]-N-(3-hydroxypropyl)piperidine-3-carboxamide is O=C(NCCCO)C1CCCN(C(=O)CCN2CCCCCCC2)C1.
What is the InChIKey of 1-[3-(azocan-1-yl)propanoyl]-N-(3-hydroxypropyl)piperidine-3-carboxamide?
The InChIKey is XPDHKGZNFOJSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3/c23-15-7-10-20-19(25)17-8-6-13-22(16-17)18(24)9-14-21-11-4-2-1-3-5-12-21/h17,23H,1-16H2,(H,20,25).
What are the key properties of 1-[3-(azocan-1-yl)propanoyl]-N-(3-hydroxypropyl)piperidine-3-carboxamide?
1-[3-(azocan-1-yl)propanoyl]-N-(3-hydroxypropyl)piperidine-3-carboxamide has a molecular weight of 353.51 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azocan-1-yl)propanoyl]-N-(3-hydroxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 47000053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).