N-[4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butyl]cyclopropanecarboxamide

C20H29N3O4S — CID 46483108

IUPACN-[4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butyl]cyclopropanecarboxamide
SMILESO=C(CCCNC(=O)C1CC1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H29N3O4S/c24-19(5-4-12-21-20(25)17-8-9-17)22-15-16-6-10-18(11-7-16)28(26,27)23-13-2-1-3-14-23/h6-7,10-11,17H,1-5,8-9,12-15H2,(H,21,25)(H,22,24)
InChIKeyFQGBLRMPOHASHD-UHFFFAOYSA-N
MW407.54 g/mol
LogP1.78
Rot. Bonds9

About N-[4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butyl]cyclopropanecarboxamide

N-[4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butyl]cyclopropanecarboxamide (PubChem CID 46483108) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butyl]cyclopropanecarboxamide
PubChem CID46483108
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC NameN-[4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butyl]cyclopropanecarboxamide
SMILESO=C(CCCNC(=O)C1CC1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H29N3O4S/c24-19(5-4-12-21-20(25)17-8-9-17)22-15-16-6-10-18(11-7-16)28(26,27)23-13-2-1-3-14-23/h6-7,10-11,17H,1-5,8-9,12-15H2,(H,21,25)(H,22,24)
InChIKeyFQGBLRMPOHASHD-UHFFFAOYSA-N
XLogP1.78
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 55634285
N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 30125962
7-amino-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]heptanamide;hydrochloride
CID 119690920
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide
CID 30148136
2-cyclopentyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 51197507
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
3-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 18116547
N-[3-oxo-3-[(4-piperidin-1-ylsulfonylphenyl)methylamino]propyl]adamantane-1-carboxamide
CID 55381458
(3S)-1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562114
2-(4-hydroxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 78806095
(3R)-N-[3-(benzylamino)-3-oxopropyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 41062304

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butyl]cyclopropanecarboxamide (CID 46483108) is N-[4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butyl]cyclopropanecarboxamide is O=C(CCCNC(=O)C1CC1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butyl]cyclopropanecarboxamide?
The InChIKey is FQGBLRMPOHASHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4S/c24-19(5-4-12-21-20(25)17-8-9-17)22-15-16-6-10-18(11-7-16)28(26,27)23-13-2-1-3-14-23/h6-7,10-11,17H,1-5,8-9,12-15H2,(H,21,25)(H,22,24).
What are the key properties of N-[4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butyl]cyclopropanecarboxamide?
N-[4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butyl]cyclopropanecarboxamide has a molecular weight of 407.54 g/mol, XLogP of 1.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butyl]cyclopropanecarboxamide is sourced from PubChem (CID 46483108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).