N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C20H25N3O2S — CID 55484698

IUPACN-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25N3O2S/c1-15(21-20(25)18-8-5-13-26-18)19(24)22-17-9-11-23(12-10-17)14-16-6-3-2-4-7-16/h2-8,13,15,17H,9-12,14H2,1H3,(H,21,25)(H,22,24)
InChIKeyAAFRZBPZKVKBBE-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.65
Rot. Bonds6

About N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 55484698) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID55484698
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25N3O2S/c1-15(21-20(25)18-8-5-13-26-18)19(24)22-17-9-11-23(12-10-17)14-16-6-3-2-4-7-16/h2-8,13,15,17H,9-12,14H2,1H3,(H,21,25)(H,22,24)
InChIKeyAAFRZBPZKVKBBE-UHFFFAOYSA-N
XLogP2.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[1-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46510433
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119385819
N-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119474452
N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-3-bromobenzamide
CID 42696609
N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 27673293
N-[(1S,2R)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
CID 29181343
N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
CID 3245545
N-[(1R,2R)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
CID 29181337
N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 49056517
N-[1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 16613417
N-[3-[[[(1-benzylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]propyl]thiophene-2-carboxamide
CID 110986618

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 55484698) is N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is AAFRZBPZKVKBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-15(21-20(25)18-8-5-13-26-18)19(24)22-17-9-11-23(12-10-17)14-16-6-3-2-4-7-16/h2-8,13,15,17H,9-12,14H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55484698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).