N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C23H30N4O2S — CID 58866702

IUPACN-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)cc2)C1
InChIInChI=1S/C23H30N4O2S/c1-25(2)20-11-14-27(16-20)19-7-5-18(6-8-19)24-22(28)17-9-12-26(13-10-17)23(29)21-4-3-15-30-21/h3-8,15,17,20H,9-14,16H2,1-2H3,(H,24,28)
InChIKeyDKBADMIOUTZWPQ-UHFFFAOYSA-N
MW426.59 g/mol
LogP3.38
Rot. Bonds5

About N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 58866702) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID58866702
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC NameN-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)cc2)C1
InChIInChI=1S/C23H30N4O2S/c1-25(2)20-11-14-27(16-20)19-7-5-18(6-8-19)24-22(28)17-9-12-26(13-10-17)23(29)21-4-3-15-30-21/h3-8,15,17,20H,9-14,16H2,1-2H3,(H,24,28)
InChIKeyDKBADMIOUTZWPQ-UHFFFAOYSA-N
XLogP3.38
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
4-(cyclopropanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867523
N-(4-morpholin-4-ylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511231
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 31857710
N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27844264
1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 31520919
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224174
N-(6-methoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17453330
N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075518
N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946615
N-(9H-fluoren-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46817722
N-[4-(cyclohexylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224205

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 58866702) is N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is CN(C)C1CCN(c2ccc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)cc2)C1.
What is the InChIKey of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is DKBADMIOUTZWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-25(2)20-11-14-27(16-20)19-7-5-18(6-8-19)24-22(28)17-9-12-26(13-10-17)23(29)21-4-3-15-30-21/h3-8,15,17,20H,9-14,16H2,1-2H3,(H,24,28).
What are the key properties of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 426.59 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 58866702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).