N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-(4-methoxyphenyl)butanamide

C23H28N2O4 — CID 97260298

IUPACN-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)Nc2cccc(C(=O)N3CCC[C@H](O)C3)c2)cc1
InChIInChI=1S/C23H28N2O4/c1-29-21-12-10-17(11-13-21)5-2-9-22(27)24-19-7-3-6-18(15-19)23(28)25-14-4-8-20(26)16-25/h3,6-7,10-13,15,20,26H,2,4-5,8-9,14,16H2,1H3,(H,24,27)/t20-/m0/s1
InChIKeyFJZHGZPHJUGWGO-FQEVSTJZSA-N
MW396.49 g/mol
LogP3.25
Rot. Bonds7

About N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-(4-methoxyphenyl)butanamide

N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-(4-methoxyphenyl)butanamide (PubChem CID 97260298) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-(4-methoxyphenyl)butanamide
PubChem CID97260298
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)Nc2cccc(C(=O)N3CCC[C@H](O)C3)c2)cc1
InChIInChI=1S/C23H28N2O4/c1-29-21-12-10-17(11-13-21)5-2-9-22(27)24-19-7-3-6-18(15-19)23(28)25-14-4-8-20(26)16-25/h3,6-7,10-13,15,20,26H,2,4-5,8-9,14,16H2,1H3,(H,24,27)/t20-/m0/s1
InChIKeyFJZHGZPHJUGWGO-FQEVSTJZSA-N
XLogP3.25
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]acetamide
CID 155968088
2-[(4-methoxyphenyl)methylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54837855
N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide
CID 838500
2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54837978
N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide
CID 111561910
N-(3-hydroxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 122135780
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 110930987
N-[4-(difluoromethoxy)phenyl]-2-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]acetamide
CID 52513679
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54812026
3-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide
CID 17148804
(3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone
CID 71978123

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-(4-methoxyphenyl)butanamide?
The IUPAC name of N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-(4-methoxyphenyl)butanamide (CID 97260298) is N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-(4-methoxyphenyl)butanamide.
What is the SMILES notation for N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-(4-methoxyphenyl)butanamide?
The canonical SMILES for N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-(4-methoxyphenyl)butanamide is COc1ccc(CCCC(=O)Nc2cccc(C(=O)N3CCC[C@H](O)C3)c2)cc1.
What is the InChIKey of N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-(4-methoxyphenyl)butanamide?
The InChIKey is FJZHGZPHJUGWGO-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-29-21-12-10-17(11-13-21)5-2-9-22(27)24-19-7-3-6-18(15-19)23(28)25-14-4-8-20(26)16-25/h3,6-7,10-13,15,20,26H,2,4-5,8-9,14,16H2,1H3,(H,24,27)/t20-/m0/s1.
What are the key properties of N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-(4-methoxyphenyl)butanamide?
N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-(4-methoxyphenyl)butanamide has a molecular weight of 396.49 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 97260298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).