2-[3-(cyclopentylmethylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetamide

C16H31N3O2 — CID 83998219

IUPAC2-[3-(cyclopentylmethylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetamide
SMILESNC(=O)CN1CC(CCCO)CC(NCC2CCCC2)C1
InChIInChI=1S/C16H31N3O2/c17-16(21)12-19-10-14(6-3-7-20)8-15(11-19)18-9-13-4-1-2-5-13/h13-15,18,20H,1-12H2,(H2,17,21)
InChIKeyAWIZYAMRHHYVED-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.71
Rot. Bonds8

About 2-[3-(cyclopentylmethylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetamide

2-[3-(cyclopentylmethylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetamide (PubChem CID 83998219) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[3-(cyclopentylmethylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(cyclopentylmethylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetamide
PubChem CID83998219
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-[3-(cyclopentylmethylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetamide
SMILESNC(=O)CN1CC(CCCO)CC(NCC2CCCC2)C1
InChIInChI=1S/C16H31N3O2/c17-16(21)12-19-10-14(6-3-7-20)8-15(11-19)18-9-13-4-1-2-5-13/h13-15,18,20H,1-12H2,(H2,17,21)
InChIKeyAWIZYAMRHHYVED-UHFFFAOYSA-N
XLogP0.71
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-amino-2-oxoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propanoic acid
CID 83996834
2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetamide
CID 83998206
3-[5-(cyclopropylmethylamino)-1-ethylpiperidin-3-yl]propan-1-ol
CID 83996265
2-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]acetamide
CID 83999592
3-[5-(cyclopropylmethylamino)-1-propylpiperidin-3-yl]propan-1-ol
CID 83996295
2-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]acetamide
CID 83991982
2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 83995449
3-[5-(cyclohexylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol
CID 83998736
3-[5-(cyclobutylmethylamino)-1-(1-cyclopropylethyl)piperidin-3-yl]propan-1-ol
CID 83997394
3-[1-cyclobutyl-5-(cyclopropylmethylamino)piperidin-3-yl]propan-1-ol
CID 83996650
2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid
CID 83995392
methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate
CID 83999600

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylmethylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetamide?
The IUPAC name of 2-[3-(cyclopentylmethylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetamide (CID 83998219) is 2-[3-(cyclopentylmethylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-(cyclopentylmethylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[3-(cyclopentylmethylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetamide is NC(=O)CN1CC(CCCO)CC(NCC2CCCC2)C1.
What is the InChIKey of 2-[3-(cyclopentylmethylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetamide?
The InChIKey is AWIZYAMRHHYVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c17-16(21)12-19-10-14(6-3-7-20)8-15(11-19)18-9-13-4-1-2-5-13/h13-15,18,20H,1-12H2,(H2,17,21).
What are the key properties of 2-[3-(cyclopentylmethylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetamide?
2-[3-(cyclopentylmethylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetamide has a molecular weight of 297.44 g/mol, XLogP of 0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylmethylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 83998219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).