N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide

C25H31ClF3N5O — CID 58576814

IUPACN-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide
SMILESCN(CC1CCN(c2ccc(Cl)cc2)CC1)C(=O)N1CCC(Nc2ccnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C25H31ClF3N5O/c1-32(17-18-7-12-33(13-8-18)22-4-2-19(26)3-5-22)24(35)34-14-9-20(10-15-34)31-21-6-11-30-23(16-21)25(27,28)29/h2-6,11,16,18,20H,7-10,12-15,17H2,1H3,(H,30,31)
InChIKeyLSMZEIPYFJJFJQ-UHFFFAOYSA-N
MW510.00 g/mol
LogP5.60
Rot. Bonds5

About N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide

N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide (PubChem CID 58576814) has the molecular formula C25H31ClF3N5O and a molecular weight of 510.00 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide
PubChem CID58576814
Molecular FormulaC25H31ClF3N5O
Molecular Weight510.00 g/mol
Exact Mass509.22
IUPAC NameN-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide
SMILESCN(CC1CCN(c2ccc(Cl)cc2)CC1)C(=O)N1CCC(Nc2ccnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C25H31ClF3N5O/c1-32(17-18-7-12-33(13-8-18)22-4-2-19(26)3-5-22)24(35)34-14-9-20(10-15-34)31-21-6-11-30-23(16-21)25(27,28)29/h2-6,11,16,18,20H,7-10,12-15,17H2,1H3,(H,30,31)
InChIKeyLSMZEIPYFJJFJQ-UHFFFAOYSA-N
XLogP5.60
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.00
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide with MolForge

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Related Compounds

1-(2-Chloropyridin-4-yl)-3-[2-(difluoromethyl)pyridin-4-yl]urea
CID 145980313
1-(2-Chloro-4-pyridinyl)-3-(2-methyl-4-pyridinyl)urea
CID 145982405
1-(2-Chloropyridin-4-yl)-3-[2-(trifluoromethyl)pyridin-4-yl]urea
CID 145989316
1-(4-Chlorophenyl)-3-(4-fluorobenzyl)-1-(1-(pyridin-4-ylmethyl)piperidin-4-yl)urea
CID 46883876
1-(1-((2-Aminopyridin-4-yl)methyl)piperidin-4-yl)-1-(4-chlorophenyl)-3-(4-fluorobenzyl)urea
CID 46883878
4-[3-chloro-5-[(dimethylamino)methyl]pyridin-2-yl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 57770410
1-[(5-Chloro-2-pyridinyl)methyl]-3-propan-2-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione
CID 76821366
US11033539, Cpd. No. 4-34
CID 129105254
US11033539, Cpd. No. 6-7
CID 129105443
US11033539, Cpd. No. 22-8
CID 160874777
(2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(2-fluoropyridin-4-yl)-2-methylpiperazine-1-carboxamide
CID 162370396
(2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-methyl-4-[2-(trifluoromethyl)pyridin-4-yl]piperazine-1-carboxamide
CID 162370403

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide?
The IUPAC name of N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide (CID 58576814) is N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide is CN(CC1CCN(c2ccc(Cl)cc2)CC1)C(=O)N1CCC(Nc2ccnc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide?
The InChIKey is LSMZEIPYFJJFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClF3N5O/c1-32(17-18-7-12-33(13-8-18)22-4-2-19(26)3-5-22)24(35)34-14-9-20(10-15-34)31-21-6-11-30-23(16-21)25(27,28)29/h2-6,11,16,18,20H,7-10,12-15,17H2,1H3,(H,30,31).
What are the key properties of N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide?
N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide has a molecular weight of 510.00 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 58576814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).