(3S)-1-dodecylpiperidine-3-carboxamide

C18H36N2O — CID 98141559

IUPAC(3S)-1-dodecylpiperidine-3-carboxamide
SMILESCCCCCCCCCCCCN1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-11-14-20-15-12-13-17(16-20)18(19)21/h17H,2-16H2,1H3,(H2,19,21)/t17-/m0/s1
InChIKeyOOSWYPPXWOIAFP-KRWDZBQOSA-N
MW296.50 g/mol
LogP4.10
Rot. Bonds12

About (3S)-1-dodecylpiperidine-3-carboxamide

(3S)-1-dodecylpiperidine-3-carboxamide (PubChem CID 98141559) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is (3S)-1-dodecylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-dodecylpiperidine-3-carboxamide
PubChem CID98141559
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name(3S)-1-dodecylpiperidine-3-carboxamide
SMILESCCCCCCCCCCCCN1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-11-14-20-15-12-13-17(16-20)18(19)21/h17H,2-16H2,1H3,(H2,19,21)/t17-/m0/s1
InChIKeyOOSWYPPXWOIAFP-KRWDZBQOSA-N
XLogP4.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3S)-1-hexylpiperidine-3-carboxylate
CID 81337885
1-(3-bromopropyl)piperidine-3-carboxamide
CID 61287309
ethyl 1-dodecylpiperidine-3-carboxylate;hydrochloride
CID 117069127
1-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 61386237
methyl (3S)-1-decylpiperidine-3-carboxylate
CID 115537543
1-octadecylpiperidine-4-carboxamide
CID 4134920
1-[6-(hydroxyamino)-6-oxohexyl]piperidine-3-carboxamide
CID 175801868
1-decyl-N-ethyl-N-methylpiperidine-3-carboxamide
CID 90679730
(3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide
CID 100840842
1-(2-chloroethyl)piperidine-3-carboxamide
CID 61287310
1-(6-amino-5,5-dimethylhexyl)piperidine-3-carboxamide
CID 106707851
[(3R)-1-decylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 125473797

Frequently Asked Questions

What is the IUPAC name of (3S)-1-dodecylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-dodecylpiperidine-3-carboxamide (CID 98141559) is (3S)-1-dodecylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-dodecylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-dodecylpiperidine-3-carboxamide is CCCCCCCCCCCCN1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-dodecylpiperidine-3-carboxamide?
The InChIKey is OOSWYPPXWOIAFP-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-11-14-20-15-12-13-17(16-20)18(19)21/h17H,2-16H2,1H3,(H2,19,21)/t17-/m0/s1.
What are the key properties of (3S)-1-dodecylpiperidine-3-carboxamide?
(3S)-1-dodecylpiperidine-3-carboxamide has a molecular weight of 296.50 g/mol, XLogP of 4.10, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-dodecylpiperidine-3-carboxamide is sourced from PubChem (CID 98141559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).