N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride

C15H28ClN3O2 — CID 119373641

IUPACN-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
SMILESCl.NC1CCN(C(=O)CNC(=O)CC2CCCCC2)CC1
InChIInChI=1S/C15H27N3O2.ClH/c16-13-6-8-18(9-7-13)15(20)11-17-14(19)10-12-4-2-1-3-5-12;/h12-13H,1-11,16H2,(H,17,19);1H
InChIKeyNBSBSQDJWUVQCJ-UHFFFAOYSA-N
MW317.86 g/mol
LogP1.44
Rot. Bonds4

About N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride

N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride (PubChem CID 119373641) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
PubChem CID119373641
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC NameN-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
SMILESCl.NC1CCN(C(=O)CNC(=O)CC2CCCCC2)CC1
InChIInChI=1S/C15H27N3O2.ClH/c16-13-6-8-18(9-7-13)15(20)11-17-14(19)10-12-4-2-1-3-5-12;/h12-13H,1-11,16H2,(H,17,19);1H
InChIKeyNBSBSQDJWUVQCJ-UHFFFAOYSA-N
XLogP1.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 115736845
2-cyclohexyl-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 119645034
N-(2-oxo-2-piperidin-1-ylethyl)-2-piperidin-4-ylacetamide
CID 112701646
tert-butyl N-[2-[4-[[(2-cyclohexylacetyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916630
2-(4-aminopiperidin-1-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 112701547
(2S)-1-[2-[(2-cyclohexylacetyl)amino]acetyl]piperidine-2-carboxamide
CID 97315922
tert-butyl N-[2-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916814
2-[1-[2-[(2-aminoacetyl)amino]acetyl]piperidin-4-yl]acetic acid
CID 79615805
1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride
CID 119423614
2-(4-aminocyclohexyl)-N-(cyclopentylmethyl)acetamide
CID 62782345
1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
CID 43371059
2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride
CID 165412274

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride?
The IUPAC name of N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride (CID 119373641) is N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride is Cl.NC1CCN(C(=O)CNC(=O)CC2CCCCC2)CC1.
What is the InChIKey of N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride?
The InChIKey is NBSBSQDJWUVQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.ClH/c16-13-6-8-18(9-7-13)15(20)11-17-14(19)10-12-4-2-1-3-5-12;/h12-13H,1-11,16H2,(H,17,19);1H.
What are the key properties of N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride?
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride is sourced from PubChem (CID 119373641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).