4-(cyclopropanecarbonylamino)-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide

C23H25F2N3O2 — CID 53145960

IUPAC4-(cyclopropanecarbonylamino)-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide
SMILESO=C(NCc1ccc(F)cc1F)c1ccc(NC(=O)C2CC2)cc1N1CCCCC1
InChIInChI=1S/C23H25F2N3O2/c24-17-7-6-16(20(25)12-17)14-26-23(30)19-9-8-18(27-22(29)15-4-5-15)13-21(19)28-10-2-1-3-11-28/h6-9,12-13,15H,1-5,10-11,14H2,(H,26,30)(H,27,29)
InChIKeyNVAWZCKSOUHIFB-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.23
Rot. Bonds6

About 4-(cyclopropanecarbonylamino)-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide

4-(cyclopropanecarbonylamino)-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide (PubChem CID 53145960) has the molecular formula C23H25F2N3O2 and a molecular weight of 413.47 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide
PubChem CID53145960
Molecular FormulaC23H25F2N3O2
Molecular Weight413.47 g/mol
Exact Mass413.19
IUPAC Name4-(cyclopropanecarbonylamino)-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide
SMILESO=C(NCc1ccc(F)cc1F)c1ccc(NC(=O)C2CC2)cc1N1CCCCC1
InChIInChI=1S/C23H25F2N3O2/c24-17-7-6-16(20(25)12-17)14-26-23(30)19-9-8-18(27-22(29)15-4-5-15)13-21(19)28-10-2-1-3-11-28/h6-9,12-13,15H,1-5,10-11,14H2,(H,26,30)(H,27,29)
InChIKeyNVAWZCKSOUHIFB-UHFFFAOYSA-N
XLogP4.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-[(4-methoxyphenyl)methyl]benzamide
CID 53146004
N-(1,3-benzodioxol-5-ylmethyl)-4-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide
CID 53145983
N-[3-(azepan-1-yl)-4-(piperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 53146022
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
N-[(4-chlorophenyl)methyl]-4-(cyclobutanecarbonylamino)-2-morpholin-4-ylbenzamide
CID 53146106
5-(cyclobutanecarbonylamino)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42678121
N-[4-[2-(4-fluorophenyl)-4-methylpiperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide
CID 167526089
4-(cyclopropanecarbonylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55983758
5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 42757061
N-[4-[1-[(2,4-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 47025388
N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide
CID 115598132
1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 78803404

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide (CID 53145960) is 4-(cyclopropanecarbonylamino)-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide is O=C(NCc1ccc(F)cc1F)c1ccc(NC(=O)C2CC2)cc1N1CCCCC1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide?
The InChIKey is NVAWZCKSOUHIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O2/c24-17-7-6-16(20(25)12-17)14-26-23(30)19-9-8-18(27-22(29)15-4-5-15)13-21(19)28-10-2-1-3-11-28/h6-9,12-13,15H,1-5,10-11,14H2,(H,26,30)(H,27,29).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide?
4-(cyclopropanecarbonylamino)-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide has a molecular weight of 413.47 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 53145960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).