N-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide

C27H29FN4O2 — CID 46038594

IUPACN-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide
SMILESCc1ccc(NC(=O)NC2CCN(c3ccccc3C(=O)NCc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C27H29FN4O2/c1-19-9-11-22(12-10-19)30-27(34)31-23-13-15-32(16-14-23)25-8-3-2-7-24(25)26(33)29-18-20-5-4-6-21(28)17-20/h2-12,17,23H,13-16,18H2,1H3,(H,29,33)(H2,30,31,34)
InChIKeyMAWCBBORNAXYPY-UHFFFAOYSA-N
MW460.55 g/mol
LogP4.85
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide

N-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide (PubChem CID 46038594) has the molecular formula C27H29FN4O2 and a molecular weight of 460.55 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide
PubChem CID46038594
Molecular FormulaC27H29FN4O2
Molecular Weight460.55 g/mol
Exact Mass460.23
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide
SMILESCc1ccc(NC(=O)NC2CCN(c3ccccc3C(=O)NCc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C27H29FN4O2/c1-19-9-11-22(12-10-19)30-27(34)31-23-13-15-32(16-14-23)25-8-3-2-7-24(25)26(33)29-18-20-5-4-6-21(28)17-20/h2-12,17,23H,13-16,18H2,1H3,(H,29,33)(H2,30,31,34)
InChIKeyMAWCBBORNAXYPY-UHFFFAOYSA-N
XLogP4.85
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848467
2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 42848178
2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 42848187
N-[(3-fluorophenyl)methyl]-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
CID 42848180
2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46038584
N-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide
CID 46038653
N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 46037582
N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038545
2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 24719002
N-[(3-fluorophenyl)methyl]-3-[(4-methylphenyl)carbamoylamino]-4-morpholin-4-ylbenzamide
CID 46348983
1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
CID 121318776
2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46037577

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide (CID 46038594) is N-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide is Cc1ccc(NC(=O)NC2CCN(c3ccccc3C(=O)NCc3cccc(F)c3)CC2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide?
The InChIKey is MAWCBBORNAXYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O2/c1-19-9-11-22(12-10-19)30-27(34)31-23-13-15-32(16-14-23)25-8-3-2-7-24(25)26(33)29-18-20-5-4-6-21(28)17-20/h2-12,17,23H,13-16,18H2,1H3,(H,29,33)(H2,30,31,34).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide?
N-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide has a molecular weight of 460.55 g/mol, XLogP of 4.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide is sourced from PubChem (CID 46038594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).