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

C20H25N3O2S — CID 120553712

IUPACN-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCC1CNCCC1NC(=O)C(Cc1ccccc1)NC(=O)c1cccs1
InChIInChI=1S/C20H25N3O2S/c1-14-13-21-10-9-16(14)22-19(24)17(12-15-6-3-2-4-7-15)23-20(25)18-8-5-11-26-18/h2-8,11,14,16-17,21H,9-10,12-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyDVOJKVIBTZGVRP-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.20
Rot. Bonds6

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

N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 120553712) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
PubChem CID120553712
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCC1CNCCC1NC(=O)C(Cc1ccccc1)NC(=O)c1cccs1
InChIInChI=1S/C20H25N3O2S/c1-14-13-21-10-9-16(14)22-19(24)17(12-15-6-3-2-4-7-15)23-20(25)18-8-5-11-26-18/h2-8,11,14,16-17,21H,9-10,12-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyDVOJKVIBTZGVRP-UHFFFAOYSA-N
XLogP2.20
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 120555687
N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119558045
N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24540042
N-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 126009171
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
N-(3-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
CID 120553376
N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 110878206
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119629092
N-[1-oxo-3-phenyl-1-(piperidin-3-ylamino)propan-2-yl]benzamide;hydrochloride
CID 119424821
N-[1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 16613417
N-(3-methylpiperidin-4-yl)-2-phenylpentanamide
CID 120556814
(2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid
CID 119364594

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 120553712) is N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is CC1CNCCC1NC(=O)C(Cc1ccccc1)NC(=O)c1cccs1.
What is the InChIKey of N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The InChIKey is DVOJKVIBTZGVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-14-13-21-10-9-16(14)22-19(24)17(12-15-6-3-2-4-7-15)23-20(25)18-8-5-11-26-18/h2-8,11,14,16-17,21H,9-10,12-13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 120553712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).