(2S)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide;(2R)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide

C32H44N4O6 — CID 160998989

IUPAC(2S)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide;(2R)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide
SMILESC[C@@H](O)C(=O)Nc1cccc(C(=O)C2CCN(C)CC2)c1.C[C@H](O)C(=O)Nc1cccc(C(=O)C2CCN(C)CC2)c1
InChIInChI=1S/2C16H22N2O3/c2*1-11(19)16(21)17-14-5-3-4-13(10-14)15(20)12-6-8-18(2)9-7-12/h2*3-5,10-12,19H,6-9H2,1-2H3,(H,17,21)/t2*11-/m10/s1
InChIKeyTVPQVYWXKMVNKN-FGYXOPSTSA-N
MW580.73 g/mol
LogP3.06
Rot. Bonds8

About (2S)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide;(2R)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide

(2S)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide;(2R)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide (PubChem CID 160998989) has the molecular formula C32H44N4O6 and a molecular weight of 580.73 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide;(2R)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide;(2R)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide
PubChem CID160998989
Molecular FormulaC32H44N4O6
Molecular Weight580.73 g/mol
Exact Mass580.33
IUPAC Name(2S)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide;(2R)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide
SMILESC[C@@H](O)C(=O)Nc1cccc(C(=O)C2CCN(C)CC2)c1.C[C@H](O)C(=O)Nc1cccc(C(=O)C2CCN(C)CC2)c1
InChIInChI=1S/2C16H22N2O3/c2*1-11(19)16(21)17-14-5-3-4-13(10-14)15(20)12-6-8-18(2)9-7-12/h2*3-5,10-12,19H,6-9H2,1-2H3,(H,17,21)/t2*11-/m10/s1
InChIKeyTVPQVYWXKMVNKN-FGYXOPSTSA-N
XLogP3.06
TPSA139.28 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.73
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea
CID 86759511
1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(3-phenylbutyl)urea
CID 69353611
[3-(butoxyamino)phenyl]-(1-methylpiperidin-4-yl)methanone
CID 87797066
1-(aminomethyl)-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]-1-phenylthiourea
CID 174366758
3-[1-(1-methylpiperidin-4-yl)ethylamino]benzoic acid
CID 43308766
2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(3-methylphenyl)propanamide
CID 55865284
N-(3-bromophenyl)-2-hydroxypropanamide
CID 82130318
1-(2-bromophenyl)-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea;1-(4-fluorophenyl)-3-[3-(1-methylpiperidine-2-carbonyl)phenyl]urea;hydroiodide
CID 70198082
1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(2,3,5-trifluorophenyl)thiourea;sulfo hydrogen sulfate
CID 87797044
2-bromo-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 45265924
1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(2,3,4,5-tetrafluorophenyl)urea;octanoic acid
CID 87796576
(2R)-2-hydroxy-N-(3-hydroxyphenyl)propanamide
CID 130735484

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide;(2R)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide?
The IUPAC name of (2S)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide;(2R)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide (CID 160998989) is (2S)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide;(2R)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide;(2R)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide;(2R)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide is C[C@@H](O)C(=O)Nc1cccc(C(=O)C2CCN(C)CC2)c1.C[C@H](O)C(=O)Nc1cccc(C(=O)C2CCN(C)CC2)c1.
What is the InChIKey of (2S)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide;(2R)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide?
The InChIKey is TVPQVYWXKMVNKN-FGYXOPSTSA-N. The full InChI is InChI=1S/2C16H22N2O3/c2*1-11(19)16(21)17-14-5-3-4-13(10-14)15(20)12-6-8-18(2)9-7-12/h2*3-5,10-12,19H,6-9H2,1-2H3,(H,17,21)/t2*11-/m10/s1.
What are the key properties of (2S)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide;(2R)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide?
(2S)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide;(2R)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide has a molecular weight of 580.73 g/mol, XLogP of 3.06, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide;(2R)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide is sourced from PubChem (CID 160998989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).