N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide

C16H31N3O — CID 63847192

IUPACN-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
SMILESCC(C)NCC1CCN(CC(=O)NC2CCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)17-11-14-7-9-19(10-8-14)12-16(20)18-15-5-3-4-6-15/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyOFFGUNDZEFPCKS-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.76
Rot. Bonds6

About N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide

N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide (PubChem CID 63847192) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
PubChem CID63847192
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
SMILESCC(C)NCC1CCN(CC(=O)NC2CCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)17-11-14-7-9-19(10-8-14)12-16(20)18-15-5-3-4-6-15/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyOFFGUNDZEFPCKS-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922360
N-cyclohexyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968203
N-cyclopentyl-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119926446
N-(cyanomethyl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63848069
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63847542
N-(oxan-4-yl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63241627
N-methyl-N-propan-2-yl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63848072
3-[4-[2-(cyclopentylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid
CID 82323003
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 63248834
1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63849279
N-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 112628204
N-[[1-(2-bromoprop-2-enyl)piperidin-4-yl]methyl]propan-2-amine
CID 63849110

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide (CID 63847192) is N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide is CC(C)NCC1CCN(CC(=O)NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide?
The InChIKey is OFFGUNDZEFPCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(2)17-11-14-7-9-19(10-8-14)12-16(20)18-15-5-3-4-6-15/h13-15,17H,3-12H2,1-2H3,(H,18,20).
What are the key properties of N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide?
N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 63847192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).