(2R)-2-amino-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide

C17H26N4O2 — CID 119883310

IUPAC(2R)-2-amino-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1cccc(NC(=O)CCN2CCCCC2)c1
InChIInChI=1S/C17H26N4O2/c1-13(18)17(23)20-15-7-5-6-14(12-15)19-16(22)8-11-21-9-3-2-4-10-21/h5-7,12-13H,2-4,8-11,18H2,1H3,(H,19,22)(H,20,23)/t13-/m1/s1
InChIKeyHJRKNOATNVQYTL-CYBMUJFWSA-N
MW318.42 g/mol
LogP1.79
Rot. Bonds6

About (2R)-2-amino-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide

(2R)-2-amino-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide (PubChem CID 119883310) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide
PubChem CID119883310
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(2R)-2-amino-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1cccc(NC(=O)CCN2CCCCC2)c1
InChIInChI=1S/C17H26N4O2/c1-13(18)17(23)20-15-7-5-6-14(12-15)19-16(22)8-11-21-9-3-2-4-10-21/h5-7,12-13H,2-4,8-11,18H2,1H3,(H,19,22)(H,20,23)/t13-/m1/s1
InChIKeyHJRKNOATNVQYTL-CYBMUJFWSA-N
XLogP1.79
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

molecular hydrogen;3-piperidin-1-yl-N-(3-propan-2-ylphenyl)propanamide
CID 142203211
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
3-[3-(azepan-1-yl)propanoylamino]benzoic acid
CID 53215946
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
(2S)-2-amino-N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-4-methylpentanamide
CID 119870437
3-amino-N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]butanamide
CID 119870425
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
N-(3-aminophenyl)-4-(azocan-1-yl)butanamide
CID 28799889
N-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 28744833
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
N-(3,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771509
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide (CID 119883310) is (2R)-2-amino-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide is C[C@@H](N)C(=O)Nc1cccc(NC(=O)CCN2CCCCC2)c1.
What is the InChIKey of (2R)-2-amino-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide?
The InChIKey is HJRKNOATNVQYTL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13(18)17(23)20-15-7-5-6-14(12-15)19-16(22)8-11-21-9-3-2-4-10-21/h5-7,12-13H,2-4,8-11,18H2,1H3,(H,19,22)(H,20,23)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide?
(2R)-2-amino-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide has a molecular weight of 318.42 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide is sourced from PubChem (CID 119883310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).