N-[1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

C27H30N4O3S — CID 16613417

IUPACN-[1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESO=C(CN1CCC(NC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)CC1)Nc1ccccc1
InChIInChI=1S/C27H30N4O3S/c32-25(28-21-10-5-2-6-11-21)19-31-15-13-22(14-16-31)29-26(33)23(18-20-8-3-1-4-9-20)30-27(34)24-12-7-17-35-24/h1-12,17,22-23H,13-16,18-19H2,(H,28,32)(H,29,33)(H,30,34)
InChIKeyYNJCCVHHHZSKOQ-UHFFFAOYSA-N
MW490.63 g/mol
LogP3.31
Rot. Bonds9

About N-[1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

N-[1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 16613417) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is N-[1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
PubChem CID16613417
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC NameN-[1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESO=C(CN1CCC(NC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)CC1)Nc1ccccc1
InChIInChI=1S/C27H30N4O3S/c32-25(28-21-10-5-2-6-11-21)19-31-15-13-22(14-16-31)29-26(33)23(18-20-8-3-1-4-9-20)30-27(34)24-12-7-17-35-24/h1-12,17,22-23H,13-16,18-19H2,(H,28,32)(H,29,33)(H,30,34)
InChIKeyYNJCCVHHHZSKOQ-UHFFFAOYSA-N
XLogP3.31
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55484698
N-[1-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46512979
(2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide
CID 29326396
1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-4-carboxylic acid
CID 119166031
N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24540042
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide
CID 16613440
N-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide
CID 78810004
4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 6487275
N-[3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 55518864
N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 120553712
N-[1-[[4-(butanoylamino)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55847538
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(benzylcarbamoylamino)-3-methylbutanamide
CID 55548209

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 16613417) is N-[1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is O=C(CN1CCC(NC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)CC1)Nc1ccccc1.
What is the InChIKey of N-[1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The InChIKey is YNJCCVHHHZSKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c32-25(28-21-10-5-2-6-11-21)19-31-15-13-22(14-16-31)29-26(33)23(18-20-8-3-1-4-9-20)30-27(34)24-12-7-17-35-24/h1-12,17,22-23H,13-16,18-19H2,(H,28,32)(H,29,33)(H,30,34).
What are the key properties of N-[1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
N-[1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 3.31, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 16613417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).