(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride

C19H30ClN3O3 — CID 119312142

IUPAC(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride
SMILESCOc1ccccc1CC(=O)N1CCC(NC(=O)[C@@H](N)C(C)C)CC1.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-13(2)18(20)19(24)21-15-8-10-22(11-9-15)17(23)12-14-6-4-5-7-16(14)25-3;/h4-7,13,15,18H,8-12,20H2,1-3H3,(H,21,24);1H/t18-;/m0./s1
InChIKeyAJWSMARQZALFEI-FERBBOLQSA-N
MW383.92 g/mol
LogP1.75
Rot. Bonds6

About (2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride

(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride (PubChem CID 119312142) has the molecular formula C19H30ClN3O3 and a molecular weight of 383.92 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride
PubChem CID119312142
Molecular FormulaC19H30ClN3O3
Molecular Weight383.92 g/mol
Exact Mass383.20
IUPAC Name(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride
SMILESCOc1ccccc1CC(=O)N1CCC(NC(=O)[C@@H](N)C(C)C)CC1.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-13(2)18(20)19(24)21-15-8-10-22(11-9-15)17(23)12-14-6-4-5-7-16(14)25-3;/h4-7,13,15,18H,8-12,20H2,1-3H3,(H,21,24);1H/t18-;/m0./s1
InChIKeyAJWSMARQZALFEI-FERBBOLQSA-N
XLogP1.75
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 119312121
2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791121
2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide
CID 120668110
N-cyclopropyl-2-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 51329083
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide
CID 52605797
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-methylbenzamide;hydrochloride
CID 86813960
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide
CID 52820081
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]benzamide
CID 119763945
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119763931
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]cyclohexane-1-carboxamide
CID 119763933
4-(aminomethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]oxane-4-carboxamide;hydrochloride
CID 120929646
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride (CID 119312142) is (2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride is COc1ccccc1CC(=O)N1CCC(NC(=O)[C@@H](N)C(C)C)CC1.Cl.
What is the InChIKey of (2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride?
The InChIKey is AJWSMARQZALFEI-FERBBOLQSA-N. The full InChI is InChI=1S/C19H29N3O3.ClH/c1-13(2)18(20)19(24)21-15-8-10-22(11-9-15)17(23)12-14-6-4-5-7-16(14)25-3;/h4-7,13,15,18H,8-12,20H2,1-3H3,(H,21,24);1H/t18-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride?
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119312142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).