N-cyclopropyl-2-[3-[(4-hydroxypiperidin-1-yl)methyl]anilino]-2-phenylacetamide

C23H29N3O2 — CID 42956372

IUPACN-cyclopropyl-2-[3-[(4-hydroxypiperidin-1-yl)methyl]anilino]-2-phenylacetamide
SMILESO=C(NC1CC1)C(Nc1cccc(CN2CCC(O)CC2)c1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c27-21-11-13-26(14-12-21)16-17-5-4-8-20(15-17)24-22(18-6-2-1-3-7-18)23(28)25-19-9-10-19/h1-8,15,19,21-22,24,27H,9-14,16H2,(H,25,28)
InChIKeySKLBMLAFYAQSPE-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.08
Rot. Bonds7

About N-cyclopropyl-2-[3-[(4-hydroxypiperidin-1-yl)methyl]anilino]-2-phenylacetamide

N-cyclopropyl-2-[3-[(4-hydroxypiperidin-1-yl)methyl]anilino]-2-phenylacetamide (PubChem CID 42956372) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[(4-hydroxypiperidin-1-yl)methyl]anilino]-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-[(4-hydroxypiperidin-1-yl)methyl]anilino]-2-phenylacetamide
PubChem CID42956372
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-cyclopropyl-2-[3-[(4-hydroxypiperidin-1-yl)methyl]anilino]-2-phenylacetamide
SMILESO=C(NC1CC1)C(Nc1cccc(CN2CCC(O)CC2)c1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c27-21-11-13-26(14-12-21)16-17-5-4-8-20(15-17)24-22(18-6-2-1-3-7-18)23(28)25-19-9-10-19/h1-8,15,19,21-22,24,27H,9-14,16H2,(H,25,28)
InChIKeySKLBMLAFYAQSPE-UHFFFAOYSA-N
XLogP3.08
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 136554367
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
N-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide
CID 51248536
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
(2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide
CID 52507919
N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide
CID 71972865
4-[3-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106593822
3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide
CID 42850889
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505309
2-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-2-phenylacetamide;dihydrochloride
CID 119872304
N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 123647467
(2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 118547816

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-[(4-hydroxypiperidin-1-yl)methyl]anilino]-2-phenylacetamide?
The IUPAC name of N-cyclopropyl-2-[3-[(4-hydroxypiperidin-1-yl)methyl]anilino]-2-phenylacetamide (CID 42956372) is N-cyclopropyl-2-[3-[(4-hydroxypiperidin-1-yl)methyl]anilino]-2-phenylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-[(4-hydroxypiperidin-1-yl)methyl]anilino]-2-phenylacetamide?
The canonical SMILES for N-cyclopropyl-2-[3-[(4-hydroxypiperidin-1-yl)methyl]anilino]-2-phenylacetamide is O=C(NC1CC1)C(Nc1cccc(CN2CCC(O)CC2)c1)c1ccccc1.
What is the InChIKey of N-cyclopropyl-2-[3-[(4-hydroxypiperidin-1-yl)methyl]anilino]-2-phenylacetamide?
The InChIKey is SKLBMLAFYAQSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-21-11-13-26(14-12-21)16-17-5-4-8-20(15-17)24-22(18-6-2-1-3-7-18)23(28)25-19-9-10-19/h1-8,15,19,21-22,24,27H,9-14,16H2,(H,25,28).
What are the key properties of N-cyclopropyl-2-[3-[(4-hydroxypiperidin-1-yl)methyl]anilino]-2-phenylacetamide?
N-cyclopropyl-2-[3-[(4-hydroxypiperidin-1-yl)methyl]anilino]-2-phenylacetamide has a molecular weight of 379.50 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-[(4-hydroxypiperidin-1-yl)methyl]anilino]-2-phenylacetamide is sourced from PubChem (CID 42956372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).