(2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride

C16H24ClN3O2 — CID 119301656

IUPAC(2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride
SMILESCC1CCN(C(=O)c2ccc(NC(=O)[C@H](C)N)cc2)CC1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-11-7-9-19(10-8-11)16(21)13-3-5-14(6-4-13)18-15(20)12(2)17;/h3-6,11-12H,7-10,17H2,1-2H3,(H,18,20);1H/t12-;/m0./s1
InChIKeyBCYGQZLZMLLUKD-YDALLXLXSA-N
MW325.84 g/mol
LogP2.27
Rot. Bonds3

About (2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride

(2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride (PubChem CID 119301656) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride
PubChem CID119301656
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name(2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride
SMILESCC1CCN(C(=O)c2ccc(NC(=O)[C@H](C)N)cc2)CC1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-11-7-9-19(10-8-11)16(21)13-3-5-14(6-4-13)18-15(20)12(2)17;/h3-6,11-12H,7-10,17H2,1-2H3,(H,18,20);1H/t12-;/m0./s1
InChIKeyBCYGQZLZMLLUKD-YDALLXLXSA-N
XLogP2.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 61259063
2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 60719278
2-(2-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 17179652
1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 47326206
2-(4-methoxyphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 17179657
N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119412143
4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 60546042
3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54830418
2-(4-cyanophenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 87037828
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 5001175
4-amino-3-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 120590016
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride (CID 119301656) is (2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride is CC1CCN(C(=O)c2ccc(NC(=O)[C@H](C)N)cc2)CC1.Cl.
What is the InChIKey of (2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride?
The InChIKey is BCYGQZLZMLLUKD-YDALLXLXSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-11-7-9-19(10-8-11)16(21)13-3-5-14(6-4-13)18-15(20)12(2)17;/h3-6,11-12H,7-10,17H2,1-2H3,(H,18,20);1H/t12-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride?
(2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119301656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).