1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one

C16H30N2O — CID 83998592

IUPAC1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC(NCC2CCCCC2)C1
InChIInChI=1S/C16H30N2O/c1-13(2)16(19)18-10-6-9-15(12-18)17-11-14-7-4-3-5-8-14/h13-15,17H,3-12H2,1-2H3
InChIKeyPDGNOTRMNCBGTA-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.80
Rot. Bonds4

About 1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one

1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 83998592) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID83998592
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC(NCC2CCCCC2)C1
InChIInChI=1S/C16H30N2O/c1-13(2)16(19)18-10-6-9-15(12-18)17-11-14-7-4-3-5-8-14/h13-15,17H,3-12H2,1-2H3
InChIKeyPDGNOTRMNCBGTA-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-cyclohexyl-1-(piperidin-1-yl)ethan-1-one
CID 23646030
N-cyclohexyl-2-(4-methyl-1-piperidinyl)acetamide hydrochloride
CID 2959553
N,N'-1,2-propanediyldicyclohexanecarboxamide
CID 2921928
2-(S)-Amino-4-(cyclohexylmethyl-amino)-1-piperidin-1-yl-butan-1-one
CID 11266019
2-(1,4-diazaspiro[5.5]undecan-4-yl)-N-methyl-N-pentylacetamide
CID 49853579
2-Piperazinone, 1-[2-(cyclohexylamino)ethyl]-3,3,5,5-tetramethyl-
CID 15165099
(6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione
CID 16745886
(6S)-1,6-bis(cyclohexylmethyl)piperazine-2,3-dione
CID 23641167
(6S)-1-butyl-6-(cyclohexylmethyl)piperazine-2,3-dione
CID 53299358
1-[1-[Cyclohexyl(methyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 16338852
2-Cyclohexylamino-1-piperidin-1-yl-propan-1-one
CID 10376940
2-Amino-2-cyclohexyl-1-piperidin-1-yl-ethanone
CID 44364133

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one (CID 83998592) is 1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCCC(NCC2CCCCC2)C1.
What is the InChIKey of 1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is PDGNOTRMNCBGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(2)16(19)18-10-6-9-15(12-18)17-11-14-7-4-3-5-8-14/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one?
1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 83998592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).