(3R)-N-(3-butoxypropyl)piperidine-3-carboxamide

C13H26N2O2 — CID 113481104

IUPAC(3R)-N-(3-butoxypropyl)piperidine-3-carboxamide
SMILESCCCCOCCCNC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C13H26N2O2/c1-2-3-9-17-10-5-8-15-13(16)12-6-4-7-14-11-12/h12,14H,2-11H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyWXJKSMSFTOMPKP-GFCCVEGCSA-N
MW242.36 g/mol
LogP1.31
Rot. Bonds8

About (3R)-N-(3-butoxypropyl)piperidine-3-carboxamide

(3R)-N-(3-butoxypropyl)piperidine-3-carboxamide (PubChem CID 113481104) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (3R)-N-(3-butoxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-butoxypropyl)piperidine-3-carboxamide
PubChem CID113481104
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(3R)-N-(3-butoxypropyl)piperidine-3-carboxamide
SMILESCCCCOCCCNC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C13H26N2O2/c1-2-3-9-17-10-5-8-15-13(16)12-6-4-7-14-11-12/h12,14H,2-11H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyWXJKSMSFTOMPKP-GFCCVEGCSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.31
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-(2-hydroxyethoxy)propyl]piperidine-3-carboxamide
CID 106310691
(3S)-N-(4-methoxybutyl)piperidine-3-carboxamide
CID 81139140
(3R)-N-(3-ethenoxypropyl)piperidine-3-carboxamide
CID 81140451
N-(4-methylpentyl)piperidine-3-carboxamide
CID 61043776
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
methyl 6-(piperidine-3-carbonylamino)hexanoate
CID 119269488
N-tetradecylpyrrolidine-3-carboxamide;hydrochloride
CID 154586688
N-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119280390
(3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide
CID 81128243
2-[2-[[(3S)-piperidine-3-carbonyl]amino]ethoxy]acetic acid
CID 81134707
N-(2-ethylsulfonylethyl)piperidine-3-carboxamide;hydrochloride
CID 119317688
N-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-3-carboxamide;hydrochloride
CID 119292349

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-butoxypropyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-butoxypropyl)piperidine-3-carboxamide (CID 113481104) is (3R)-N-(3-butoxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-butoxypropyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-butoxypropyl)piperidine-3-carboxamide is CCCCOCCCNC(=O)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-(3-butoxypropyl)piperidine-3-carboxamide?
The InChIKey is WXJKSMSFTOMPKP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-3-9-17-10-5-8-15-13(16)12-6-4-7-14-11-12/h12,14H,2-11H2,1H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (3R)-N-(3-butoxypropyl)piperidine-3-carboxamide?
(3R)-N-(3-butoxypropyl)piperidine-3-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-butoxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 113481104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).