(3S)-1-(4-ethylcyclohexyl)piperidine-3-carboxamide

C14H26N2O — CID 40515309

IUPAC(3S)-1-(4-ethylcyclohexyl)piperidine-3-carboxamide
SMILESCCC1CCC(N2CCC[C@H](C(N)=O)C2)CC1
InChIInChI=1S/C14H26N2O/c1-2-11-5-7-13(8-6-11)16-9-3-4-12(10-16)14(15)17/h11-13H,2-10H2,1H3,(H2,15,17)/t11?,12-,13?/m0/s1
InChIKeyVGTZQBWHZMTGIC-CPCZMJQVSA-N
MW238.37 g/mol
LogP2.15
Rot. Bonds3

About (3S)-1-(4-ethylcyclohexyl)piperidine-3-carboxamide

(3S)-1-(4-ethylcyclohexyl)piperidine-3-carboxamide (PubChem CID 40515309) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (3S)-1-(4-ethylcyclohexyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-ethylcyclohexyl)piperidine-3-carboxamide
PubChem CID40515309
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(3S)-1-(4-ethylcyclohexyl)piperidine-3-carboxamide
SMILESCCC1CCC(N2CCC[C@H](C(N)=O)C2)CC1
InChIInChI=1S/C14H26N2O/c1-2-11-5-7-13(8-6-11)16-9-3-4-12(10-16)14(15)17/h11-13H,2-10H2,1H3,(H2,15,17)/t11?,12-,13?/m0/s1
InChIKeyVGTZQBWHZMTGIC-CPCZMJQVSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4178345
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CID 20208765
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CID 4250184
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CID 756180
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CID 3817842
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CID 6456421
CID 6456421
CID 20208764
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CID 177373
CID 177373
CID 45806655
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CID 4166263
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CID 2846405
CID 2846405

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-ethylcyclohexyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-ethylcyclohexyl)piperidine-3-carboxamide (CID 40515309) is (3S)-1-(4-ethylcyclohexyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-ethylcyclohexyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-ethylcyclohexyl)piperidine-3-carboxamide is CCC1CCC(N2CCC[C@H](C(N)=O)C2)CC1.
What is the InChIKey of (3S)-1-(4-ethylcyclohexyl)piperidine-3-carboxamide?
The InChIKey is VGTZQBWHZMTGIC-CPCZMJQVSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-11-5-7-13(8-6-11)16-9-3-4-12(10-16)14(15)17/h11-13H,2-10H2,1H3,(H2,15,17)/t11?,12-,13?/m0/s1.
What are the key properties of (3S)-1-(4-ethylcyclohexyl)piperidine-3-carboxamide?
(3S)-1-(4-ethylcyclohexyl)piperidine-3-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-ethylcyclohexyl)piperidine-3-carboxamide is sourced from PubChem (CID 40515309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).