(3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide

C14H27N3O — CID 81123639

IUPAC(3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCN1CCCCC1)[C@@H]1CCCNC1
InChIInChI=1S/C14H27N3O/c18-14(13-6-4-7-15-12-13)16-8-5-11-17-9-2-1-3-10-17/h13,15H,1-12H2,(H,16,18)/t13-/m1/s1
InChIKeyYAAKQJQSFGHWHZ-CYBMUJFWSA-N
MW253.39 g/mol
LogP0.98
Rot. Bonds5

About (3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide

(3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide (PubChem CID 81123639) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
PubChem CID81123639
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCN1CCCCC1)[C@@H]1CCCNC1
InChIInChI=1S/C14H27N3O/c18-14(13-6-4-7-15-12-13)16-8-5-11-17-9-2-1-3-10-17/h13,15H,1-12H2,(H,16,18)/t13-/m1/s1
InChIKeyYAAKQJQSFGHWHZ-CYBMUJFWSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride
CID 119831193
N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide
CID 119831281
(3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 67293748
N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119835547
N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 54967476
N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride
CID 119901823
N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide
CID 119852387
N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 55150802
N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 119901768
N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride
CID 119901172
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride
CID 119901292
(4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide
CID 125446683

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide (CID 81123639) is (3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide is O=C(NCCCN1CCCCC1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide?
The InChIKey is YAAKQJQSFGHWHZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H27N3O/c18-14(13-6-4-7-15-12-13)16-8-5-11-17-9-2-1-3-10-17/h13,15H,1-12H2,(H,16,18)/t13-/m1/s1.
What are the key properties of (3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide?
(3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 81123639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).