2-[4-[(3-cyclopropylcyclohexyl)amino]piperidin-1-yl]-N-methylacetamide

C17H31N3O — CID 64595857

IUPAC2-[4-[(3-cyclopropylcyclohexyl)amino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NC2CCCC(C3CC3)C2)CC1
InChIInChI=1S/C17H31N3O/c1-18-17(21)12-20-9-7-15(8-10-20)19-16-4-2-3-14(11-16)13-5-6-13/h13-16,19H,2-12H2,1H3,(H,18,21)
InChIKeyKICDTNHNTYQIBD-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.76
Rot. Bonds5

About 2-[4-[(3-cyclopropylcyclohexyl)amino]piperidin-1-yl]-N-methylacetamide

2-[4-[(3-cyclopropylcyclohexyl)amino]piperidin-1-yl]-N-methylacetamide (PubChem CID 64595857) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-[4-[(3-cyclopropylcyclohexyl)amino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(3-cyclopropylcyclohexyl)amino]piperidin-1-yl]-N-methylacetamide
PubChem CID64595857
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-[4-[(3-cyclopropylcyclohexyl)amino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NC2CCCC(C3CC3)C2)CC1
InChIInChI=1S/C17H31N3O/c1-18-17(21)12-20-9-7-15(8-10-20)19-16-4-2-3-14(11-16)13-5-6-13/h13-16,19H,2-12H2,1H3,(H,18,21)
InChIKeyKICDTNHNTYQIBD-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[4-[(3-methylcyclohexyl)amino]piperidin-1-yl]acetamide
CID 43435274
2-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-N-methylacetamide
CID 79458461
N-methyl-2-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]acetamide
CID 65070563
N-methyl-2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]piperidin-1-yl]acetamide
CID 43691453
N-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]acetamide
CID 43782791
2-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidin-1-yl]-N-methylacetamide
CID 82853286
N,3-dicyclopropylcyclohexan-1-amine
CID 64594632
N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
CID 170394930
N-methyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide
CID 115335740
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 43704790
N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
CID 83906410
2-[4-(2-ethylbutylamino)piperidin-1-yl]-N-methylacetamide
CID 43435262

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-cyclopropylcyclohexyl)amino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(3-cyclopropylcyclohexyl)amino]piperidin-1-yl]-N-methylacetamide (CID 64595857) is 2-[4-[(3-cyclopropylcyclohexyl)amino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(3-cyclopropylcyclohexyl)amino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(3-cyclopropylcyclohexyl)amino]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NC2CCCC(C3CC3)C2)CC1.
What is the InChIKey of 2-[4-[(3-cyclopropylcyclohexyl)amino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is KICDTNHNTYQIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-18-17(21)12-20-9-7-15(8-10-20)19-16-4-2-3-14(11-16)13-5-6-13/h13-16,19H,2-12H2,1H3,(H,18,21).
What are the key properties of 2-[4-[(3-cyclopropylcyclohexyl)amino]piperidin-1-yl]-N-methylacetamide?
2-[4-[(3-cyclopropylcyclohexyl)amino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 293.45 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-cyclopropylcyclohexyl)amino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 64595857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).