N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C28H26N2O3S — CID 134061219

IUPACN-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1c(O)ccc2ccccc12)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C28H26N2O3S/c31-23-13-12-19-7-4-5-10-22(19)25(23)26(20-8-2-1-3-9-20)29-27(32)21-14-16-30(17-15-21)28(33)24-11-6-18-34-24/h1-13,18,21,26,31H,14-17H2,(H,29,32)
InChIKeySKIYTPSKHHGNGG-UHFFFAOYSA-N
MW470.59 g/mol
LogP5.36
Rot. Bonds5

About N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 134061219) has the molecular formula C28H26N2O3S and a molecular weight of 470.59 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID134061219
Molecular FormulaC28H26N2O3S
Molecular Weight470.59 g/mol
Exact Mass470.17
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1c(O)ccc2ccccc12)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C28H26N2O3S/c31-23-13-12-19-7-4-5-10-22(19)25(23)26(20-8-2-1-3-9-20)29-27(32)21-14-16-30(17-15-21)28(33)24-11-6-18-34-24/h1-13,18,21,26,31H,14-17H2,(H,29,32)
InChIKeySKIYTPSKHHGNGG-UHFFFAOYSA-N
XLogP5.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.59
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51199351
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55751666
dimethyl-[(2S)-2-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]ethyl]azanium
CID 8938106
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9150146
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9150147
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55429946
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51479387
N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 24553086
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
N-[(3-chlorophenyl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55804121
N-[3-[[(2-hydroxynaphthalen-1-yl)-phenylmethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
CID 86880225

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 134061219) is N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(NC(c1ccccc1)c1c(O)ccc2ccccc12)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is SKIYTPSKHHGNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3S/c31-23-13-12-19-7-4-5-10-22(19)25(23)26(20-8-2-1-3-9-20)29-27(32)21-14-16-30(17-15-21)28(33)24-11-6-18-34-24/h1-13,18,21,26,31H,14-17H2,(H,29,32).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 470.59 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 134061219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).