(2S)-1-[2-[(2-cyclohexylacetyl)amino]acetyl]piperidine-2-carboxamide

C16H27N3O3 — CID 97315922

IUPAC(2S)-1-[2-[(2-cyclohexylacetyl)amino]acetyl]piperidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCCN1C(=O)CNC(=O)CC1CCCCC1
InChIInChI=1S/C16H27N3O3/c17-16(22)13-8-4-5-9-19(13)15(21)11-18-14(20)10-12-6-2-1-3-7-12/h12-13H,1-11H2,(H2,17,22)(H,18,20)/t13-/m0/s1
InChIKeyKDOWKWRVHKKFCR-ZDUSSCGKSA-N
MW309.41 g/mol
LogP0.94
Rot. Bonds5

About (2S)-1-[2-[(2-cyclohexylacetyl)amino]acetyl]piperidine-2-carboxamide

(2S)-1-[2-[(2-cyclohexylacetyl)amino]acetyl]piperidine-2-carboxamide (PubChem CID 97315922) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2S)-1-[2-[(2-cyclohexylacetyl)amino]acetyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[(2-cyclohexylacetyl)amino]acetyl]piperidine-2-carboxamide
PubChem CID97315922
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name(2S)-1-[2-[(2-cyclohexylacetyl)amino]acetyl]piperidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCCN1C(=O)CNC(=O)CC1CCCCC1
InChIInChI=1S/C16H27N3O3/c17-16(22)13-8-4-5-9-19(13)15(21)11-18-14(20)10-12-6-2-1-3-7-12/h12-13H,1-11H2,(H2,17,22)(H,18,20)/t13-/m0/s1
InChIKeyKDOWKWRVHKKFCR-ZDUSSCGKSA-N
XLogP0.94
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopropylacetyl)pyrrolidine-2-carboxamide
CID 89120166
(2S)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide
CID 143684092
(2S)-1-[2-[(2-methoxyacetyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 142833524
(2S)-1-[2-(carbamothioylamino)acetyl]pyrrolidine-2-carboxamide;ethane
CID 143879715
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
CID 119373641
1-propanoylpiperidine-2-carboxamide
CID 60717244
1-oxaldehydoylpiperidine-2-carboxamide
CID 123380194
2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 115736845
1-(2-piperidin-4-ylacetyl)pyrrolidine-2-carboxamide
CID 43212210
1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxamide
CID 79285269
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-2-carboxamide
CID 79607257
1-(2-anilinoacetyl)piperidine-2-carboxamide
CID 54940061

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[(2-cyclohexylacetyl)amino]acetyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-[(2-cyclohexylacetyl)amino]acetyl]piperidine-2-carboxamide (CID 97315922) is (2S)-1-[2-[(2-cyclohexylacetyl)amino]acetyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[(2-cyclohexylacetyl)amino]acetyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[(2-cyclohexylacetyl)amino]acetyl]piperidine-2-carboxamide is NC(=O)[C@@H]1CCCCN1C(=O)CNC(=O)CC1CCCCC1.
What is the InChIKey of (2S)-1-[2-[(2-cyclohexylacetyl)amino]acetyl]piperidine-2-carboxamide?
The InChIKey is KDOWKWRVHKKFCR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27N3O3/c17-16(22)13-8-4-5-9-19(13)15(21)11-18-14(20)10-12-6-2-1-3-7-12/h12-13H,1-11H2,(H2,17,22)(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-1-[2-[(2-cyclohexylacetyl)amino]acetyl]piperidine-2-carboxamide?
(2S)-1-[2-[(2-cyclohexylacetyl)amino]acetyl]piperidine-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[(2-cyclohexylacetyl)amino]acetyl]piperidine-2-carboxamide is sourced from PubChem (CID 97315922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).