1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one

C16H30N2O — CID 83996520

IUPAC1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCCCC1CC(NCC2CC2)CN(C(=O)C(C)C)C1
InChIInChI=1S/C16H30N2O/c1-4-5-14-8-15(17-9-13-6-7-13)11-18(10-14)16(19)12(2)3/h12-15,17H,4-11H2,1-3H3
InChIKeyGUOXEFBTIZRMPB-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.66
Rot. Bonds6

About 1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one

1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one (PubChem CID 83996520) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
PubChem CID83996520
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCCCC1CC(NCC2CC2)CN(C(=O)C(C)C)C1
InChIInChI=1S/C16H30N2O/c1-4-5-14-8-15(17-9-13-6-7-13)11-18(10-14)16(19)12(2)3/h12-15,17H,4-11H2,1-3H3
InChIKeyGUOXEFBTIZRMPB-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83997903
1-[3-(ethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83990429
1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83999978
3-(cyclobutylmethylamino)-5-propylpiperidine-1-carboxamide
CID 83997100
methyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate
CID 83997765
1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83993753
N,1-bis(cyclopropylmethyl)-5-propylpiperidin-3-amine
CID 83996677
methyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate
CID 112543268
1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone
CID 83997819
1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 83998592
N-[5-(cyclopropylmethyl)-1-(2-methylpropanoyl)piperidin-3-yl]acetamide
CID 112541864
1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone
CID 83996453

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one (CID 83996520) is 1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one is CCCC1CC(NCC2CC2)CN(C(=O)C(C)C)C1.
What is the InChIKey of 1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is GUOXEFBTIZRMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-5-14-8-15(17-9-13-6-7-13)11-18(10-14)16(19)12(2)3/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one?
1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 83996520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).