(3R)-1-acetyl-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxypiperidine-3-carboxamide

C16H29N3O3 — CID 129491669

IUPAC(3R)-1-acetyl-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxypiperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@](O)(C(=O)NCC2(N(C)C)CCCC2)C1
InChIInChI=1S/C16H29N3O3/c1-13(20)19-10-6-9-16(22,12-19)14(21)17-11-15(18(2)3)7-4-5-8-15/h22H,4-12H2,1-3H3,(H,17,21)/t16-/m1/s1
InChIKeyYMRMWWDEXLJHMV-MRXNPFEDSA-N
MW311.43 g/mol
LogP0.35
Rot. Bonds4

About (3R)-1-acetyl-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxypiperidine-3-carboxamide

(3R)-1-acetyl-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxypiperidine-3-carboxamide (PubChem CID 129491669) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is (3R)-1-acetyl-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-acetyl-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxypiperidine-3-carboxamide
PubChem CID129491669
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name(3R)-1-acetyl-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxypiperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@](O)(C(=O)NCC2(N(C)C)CCCC2)C1
InChIInChI=1S/C16H29N3O3/c1-13(20)19-10-6-9-16(22,12-19)14(21)17-11-15(18(2)3)7-4-5-8-15/h22H,4-12H2,1-3H3,(H,17,21)/t16-/m1/s1
InChIKeyYMRMWWDEXLJHMV-MRXNPFEDSA-N
XLogP0.35
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-acetyl-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of (3R)-1-acetyl-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxypiperidine-3-carboxamide (CID 129491669) is (3R)-1-acetyl-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-acetyl-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-acetyl-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxypiperidine-3-carboxamide is CC(=O)N1CCC[C@](O)(C(=O)NCC2(N(C)C)CCCC2)C1.
What is the InChIKey of (3R)-1-acetyl-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxypiperidine-3-carboxamide?
The InChIKey is YMRMWWDEXLJHMV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-13(20)19-10-6-9-16(22,12-19)14(21)17-11-15(18(2)3)7-4-5-8-15/h22H,4-12H2,1-3H3,(H,17,21)/t16-/m1/s1.
What are the key properties of (3R)-1-acetyl-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxypiperidine-3-carboxamide?
(3R)-1-acetyl-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxypiperidine-3-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-acetyl-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 129491669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).