(2R)-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxamide

C12H23N3O2 — CID 103808196

IUPAC(2R)-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)[C@H]1CCCCN1
InChIInChI=1S/C12H23N3O2/c1-3-7-14-11(16)9(2)15-12(17)10-6-4-5-8-13-10/h9-10,13H,3-8H2,1-2H3,(H,14,16)(H,15,17)/t9?,10-/m1/s1
InChIKeyYBQCRNVGQFEJJY-QVDQXJPCSA-N
MW241.33 g/mol
LogP0.16
Rot. Bonds5

About (2R)-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxamide

(2R)-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxamide (PubChem CID 103808196) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2R)-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxamide
PubChem CID103808196
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(2R)-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)[C@H]1CCCCN1
InChIInChI=1S/C12H23N3O2/c1-3-7-14-11(16)9(2)15-12(17)10-6-4-5-8-13-10/h9-10,13H,3-8H2,1-2H3,(H,14,16)(H,15,17)/t9?,10-/m1/s1
InChIKeyYBQCRNVGQFEJJY-QVDQXJPCSA-N
XLogP0.16
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]pyrrolidine-2-carboxamide
CID 102282932
2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]acetic acid
CID 18223425
ethyl 2-(azepane-2-carbonylamino)propanoate
CID 64564630
N-propylpyrrolidine-2-carboxamide
CID 4984185
(2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 61467430
N-[2-oxo-2-(propylamino)ethyl]piperidine-2-carboxamide
CID 43516914
N-[2-(2-methylpropanoylamino)ethyl]azepane-2-carboxamide
CID 64564235
N-[1-oxo-1-(propylamino)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470781
(2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide
CID 61249248
N-(5-methylhexan-2-yl)piperidine-2-carboxamide
CID 43579330
N-(3-methylpentan-2-yl)azepane-2-carboxamide
CID 64564622
(2S)-N-(4-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 104914608

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxamide (CID 103808196) is (2R)-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxamide is CCCNC(=O)C(C)NC(=O)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxamide?
The InChIKey is YBQCRNVGQFEJJY-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-7-14-11(16)9(2)15-12(17)10-6-4-5-8-13-10/h9-10,13H,3-8H2,1-2H3,(H,14,16)(H,15,17)/t9?,10-/m1/s1.
What are the key properties of (2R)-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxamide?
(2R)-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 103808196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).