N-benzyl-2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]benzamide

C21H25N3O3 — CID 95175871

IUPACN-benzyl-2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]benzamide
SMILESO=C(CN1CCC[C@H](O)C1)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C21H25N3O3/c25-17-9-6-12-24(14-17)15-20(26)23-19-11-5-4-10-18(19)21(27)22-13-16-7-2-1-3-8-16/h1-5,7-8,10-11,17,25H,6,9,12-15H2,(H,22,27)(H,23,26)/t17-/m0/s1
InChIKeyDCJIDXPNZBTQOR-KRWDZBQOSA-N
MW367.45 g/mol
LogP2.01
Rot. Bonds6

About N-benzyl-2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]benzamide

N-benzyl-2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]benzamide (PubChem CID 95175871) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-benzyl-2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]benzamide
PubChem CID95175871
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-benzyl-2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]benzamide
SMILESO=C(CN1CCC[C@H](O)C1)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C21H25N3O3/c25-17-9-6-12-24(14-17)15-20(26)23-19-11-5-4-10-18(19)21(27)22-13-16-7-2-1-3-8-16/h1-5,7-8,10-11,17,25H,6,9,12-15H2,(H,22,27)(H,23,26)/t17-/m0/s1
InChIKeyDCJIDXPNZBTQOR-KRWDZBQOSA-N
XLogP2.01
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 55362722
N-benzyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 46614142
N-[(4-methylphenyl)methyl]-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 56542148
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 31478295
N-benzyl-2-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 26608344
N-benzyl-2-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55410746
N-[2-(benzylcarbamoyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43923445
2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 7998622
2-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]-N-phenylbenzamide
CID 31480918
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 111332577
2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 22197772
N-(2-carbamothioylphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide
CID 61434163

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]benzamide (CID 95175871) is N-benzyl-2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]benzamide is O=C(CN1CCC[C@H](O)C1)Nc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]benzamide?
The InChIKey is DCJIDXPNZBTQOR-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-17-9-6-12-24(14-17)15-20(26)23-19-11-5-4-10-18(19)21(27)22-13-16-7-2-1-3-8-16/h1-5,7-8,10-11,17,25H,6,9,12-15H2,(H,22,27)(H,23,26)/t17-/m0/s1.
What are the key properties of N-benzyl-2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]benzamide?
N-benzyl-2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 95175871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).