1-[3-[[(2R)-2-methyloxane-2-carbonyl]amino]propyl]piperidine-4-carboxamide

C16H29N3O3 — CID 125437379

IUPAC1-[3-[[(2R)-2-methyloxane-2-carbonyl]amino]propyl]piperidine-4-carboxamide
SMILESC[C@]1(C(=O)NCCCN2CCC(C(N)=O)CC2)CCCCO1
InChIInChI=1S/C16H29N3O3/c1-16(7-2-3-12-22-16)15(21)18-8-4-9-19-10-5-13(6-11-19)14(17)20/h13H,2-12H2,1H3,(H2,17,20)(H,18,21)/t16-/m1/s1
InChIKeyKOPWWKRDQOZAEZ-MRXNPFEDSA-N
MW311.43 g/mol
LogP0.65
Rot. Bonds6

About 1-[3-[[(2R)-2-methyloxane-2-carbonyl]amino]propyl]piperidine-4-carboxamide

1-[3-[[(2R)-2-methyloxane-2-carbonyl]amino]propyl]piperidine-4-carboxamide (PubChem CID 125437379) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[3-[[(2R)-2-methyloxane-2-carbonyl]amino]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[[(2R)-2-methyloxane-2-carbonyl]amino]propyl]piperidine-4-carboxamide
PubChem CID125437379
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name1-[3-[[(2R)-2-methyloxane-2-carbonyl]amino]propyl]piperidine-4-carboxamide
SMILESC[C@]1(C(=O)NCCCN2CCC(C(N)=O)CC2)CCCCO1
InChIInChI=1S/C16H29N3O3/c1-16(7-2-3-12-22-16)15(21)18-8-4-9-19-10-5-13(6-11-19)14(17)20/h13H,2-12H2,1H3,(H2,17,20)(H,18,21)/t16-/m1/s1
InChIKeyKOPWWKRDQOZAEZ-MRXNPFEDSA-N
XLogP0.65
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-acetyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide
CID 124968264
1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide
CID 119831267
1-amino-N-(3-piperidin-1-ylpropyl)cyclopentane-1-carboxamide
CID 60867938
1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 119851085
1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119831195
1-amino-N-(3-piperidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 81179848
N-(6-bromohexyl)-2-methyloxolane-2-carboxamide
CID 107847632
1-[4-[[N-ethyl-N'-[[1-(2-hydroxyethyl)cyclohexyl]methyl]carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 109477938
N-(4-hydroxypentyl)-2-methyloxolane-2-carboxamide
CID 107299926
1-octadecylpiperidine-4-carboxamide
CID 4134920
4-methyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 63121401
4-acetyl-2-methyl-N-(2-piperidin-1-ylethyl)morpholine-2-carboxamide
CID 110094654

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(2R)-2-methyloxane-2-carbonyl]amino]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[[(2R)-2-methyloxane-2-carbonyl]amino]propyl]piperidine-4-carboxamide (CID 125437379) is 1-[3-[[(2R)-2-methyloxane-2-carbonyl]amino]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[[(2R)-2-methyloxane-2-carbonyl]amino]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[[(2R)-2-methyloxane-2-carbonyl]amino]propyl]piperidine-4-carboxamide is C[C@]1(C(=O)NCCCN2CCC(C(N)=O)CC2)CCCCO1.
What is the InChIKey of 1-[3-[[(2R)-2-methyloxane-2-carbonyl]amino]propyl]piperidine-4-carboxamide?
The InChIKey is KOPWWKRDQOZAEZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-16(7-2-3-12-22-16)15(21)18-8-4-9-19-10-5-13(6-11-19)14(17)20/h13H,2-12H2,1H3,(H2,17,20)(H,18,21)/t16-/m1/s1.
What are the key properties of 1-[3-[[(2R)-2-methyloxane-2-carbonyl]amino]propyl]piperidine-4-carboxamide?
1-[3-[[(2R)-2-methyloxane-2-carbonyl]amino]propyl]piperidine-4-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(2R)-2-methyloxane-2-carbonyl]amino]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 125437379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).