2-[3-(2-hydroxybutyl)-5-(2-methylpropylamino)piperidin-1-yl]acetamide

C15H31N3O2 — CID 83994764

IUPAC2-[3-(2-hydroxybutyl)-5-(2-methylpropylamino)piperidin-1-yl]acetamide
SMILESCCC(O)CC1CC(NCC(C)C)CN(CC(N)=O)C1
InChIInChI=1S/C15H31N3O2/c1-4-14(19)6-12-5-13(17-7-11(2)3)9-18(8-12)10-15(16)20/h11-14,17,19H,4-10H2,1-3H3,(H2,16,20)
InChIKeyXUBLUIIEGQXEDU-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.57
Rot. Bonds8

About 2-[3-(2-hydroxybutyl)-5-(2-methylpropylamino)piperidin-1-yl]acetamide

2-[3-(2-hydroxybutyl)-5-(2-methylpropylamino)piperidin-1-yl]acetamide (PubChem CID 83994764) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[3-(2-hydroxybutyl)-5-(2-methylpropylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(2-hydroxybutyl)-5-(2-methylpropylamino)piperidin-1-yl]acetamide
PubChem CID83994764
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-[3-(2-hydroxybutyl)-5-(2-methylpropylamino)piperidin-1-yl]acetamide
SMILESCCC(O)CC1CC(NCC(C)C)CN(CC(N)=O)C1
InChIInChI=1S/C15H31N3O2/c1-4-14(19)6-12-5-13(17-7-11(2)3)9-18(8-12)10-15(16)20/h11-14,17,19H,4-10H2,1-3H3,(H2,16,20)
InChIKeyXUBLUIIEGQXEDU-UHFFFAOYSA-N
XLogP0.57
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol
CID 83994299
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2-hydroxybutyl)piperidin-3-yl]carbamate
CID 112544838
2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide
CID 83993367
1-[1-butan-2-yl-5-(2,2-difluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83993131
1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83994194
1-[5-(ethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83990235
2-[3-(2,2-difluoroethylamino)-5-(2-hydroxybutyl)piperidin-1-yl]acetonitrile
CID 83993358
N-[1-(cyanomethyl)-5-(2-hydroxybutyl)piperidin-3-yl]-2-methylpropanamide
CID 112542931
1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol
CID 83998394
1-[3-(2-hydroxybutyl)-5-(3-methylbutylamino)piperidin-1-yl]propan-1-one
CID 83995783
methyl 2-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
CID 83994184
1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol
CID 83996881

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxybutyl)-5-(2-methylpropylamino)piperidin-1-yl]acetamide?
The IUPAC name of 2-[3-(2-hydroxybutyl)-5-(2-methylpropylamino)piperidin-1-yl]acetamide (CID 83994764) is 2-[3-(2-hydroxybutyl)-5-(2-methylpropylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-(2-hydroxybutyl)-5-(2-methylpropylamino)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[3-(2-hydroxybutyl)-5-(2-methylpropylamino)piperidin-1-yl]acetamide is CCC(O)CC1CC(NCC(C)C)CN(CC(N)=O)C1.
What is the InChIKey of 2-[3-(2-hydroxybutyl)-5-(2-methylpropylamino)piperidin-1-yl]acetamide?
The InChIKey is XUBLUIIEGQXEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-4-14(19)6-12-5-13(17-7-11(2)3)9-18(8-12)10-15(16)20/h11-14,17,19H,4-10H2,1-3H3,(H2,16,20).
What are the key properties of 2-[3-(2-hydroxybutyl)-5-(2-methylpropylamino)piperidin-1-yl]acetamide?
2-[3-(2-hydroxybutyl)-5-(2-methylpropylamino)piperidin-1-yl]acetamide has a molecular weight of 285.43 g/mol, XLogP of 0.57, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxybutyl)-5-(2-methylpropylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 83994764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).