1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone

C16H28N2O2 — CID 103557372

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)N2CCC(NCC3CC3)CC2)CCC1
InChIInChI=1S/C16H28N2O2/c1-20-16(7-2-8-16)11-15(19)18-9-5-14(6-10-18)17-12-13-3-4-13/h13-14,17H,2-12H2,1H3
InChIKeySAJTZRNMHBSGIN-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.94
Rot. Bonds6

About 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone (PubChem CID 103557372) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
PubChem CID103557372
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)N2CCC(NCC3CC3)CC2)CCC1
InChIInChI=1S/C16H28N2O2/c1-20-16(7-2-8-16)11-15(19)18-9-5-14(6-10-18)17-12-13-3-4-13/h13-14,17H,2-12H2,1H3
InChIKeySAJTZRNMHBSGIN-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methoxycyclobutyl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 103555827
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide
CID 109898426
2-(1-methoxycyclobutyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 119047714
2-(1-methoxycyclobutyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
CID 119047742
2-(1-methoxycyclobutyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]acetamide
CID 119047989
2-(1-methoxycyclobutyl)-N-propan-2-ylacetamide
CID 103517320
2-(1-methoxycyclobutyl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 164556165
Cyclopropyl-[4-[(4-methoxy-4-methylpentan-2-yl)amino]piperidin-1-yl]methanone
CID 43747839
1-(cyclopropanecarbonyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)piperidine-3-carboxamide
CID 71985973
(3R)-1-(cyclopropanecarbonyl)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-3-carboxamide
CID 97586144
(3R)-1-(cyclopropanecarbonyl)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-3-carboxamide
CID 97586145
1-(4-Amino-3-ethylpiperidin-1-yl)-3-methoxy-3-methylbutan-1-one
CID 103017188

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone (CID 103557372) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone is COC1(CC(=O)N2CCC(NCC3CC3)CC2)CCC1.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone?
The InChIKey is SAJTZRNMHBSGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-20-16(7-2-8-16)11-15(19)18-9-5-14(6-10-18)17-12-13-3-4-13/h13-14,17H,2-12H2,1H3.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone has a molecular weight of 280.41 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 103557372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).