(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluoro-4-methylbenzoyl)amino]phenyl]carbamate

C26H27FN4O3 — CID 21352710

IUPAC(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluoro-4-methylbenzoyl)amino]phenyl]carbamate
SMILESCc1ccc(C(=O)Nc2ccccc2NC(=O)OCC2CCN(c3ccncc3)CC2)cc1F
InChIInChI=1S/C26H27FN4O3/c1-18-6-7-20(16-22(18)27)25(32)29-23-4-2-3-5-24(23)30-26(33)34-17-19-10-14-31(15-11-19)21-8-12-28-13-9-21/h2-9,12-13,16,19H,10-11,14-15,17H2,1H3,(H,29,32)(H,30,33)
InChIKeyNRWAQQPTCYUWBP-UHFFFAOYSA-N
MW462.53 g/mol
LogP5.25
Rot. Bonds6

About (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluoro-4-methylbenzoyl)amino]phenyl]carbamate

(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluoro-4-methylbenzoyl)amino]phenyl]carbamate (PubChem CID 21352710) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluoro-4-methylbenzoyl)amino]phenyl]carbamate.

Molecular Properties

Compound Name(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluoro-4-methylbenzoyl)amino]phenyl]carbamate
PubChem CID21352710
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC Name(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluoro-4-methylbenzoyl)amino]phenyl]carbamate
SMILESCc1ccc(C(=O)Nc2ccccc2NC(=O)OCC2CCN(c3ccncc3)CC2)cc1F
InChIInChI=1S/C26H27FN4O3/c1-18-6-7-20(16-22(18)27)25(32)29-23-4-2-3-5-24(23)30-26(33)34-17-19-10-14-31(15-11-19)21-8-12-28-13-9-21/h2-9,12-13,16,19H,10-11,14-15,17H2,1H3,(H,29,32)(H,30,33)
InChIKeyNRWAQQPTCYUWBP-UHFFFAOYSA-N
XLogP5.25
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.53
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-chlorobenzoyl)amino]-5-hydroxyphenyl]carbamate
CID 21352718
4-methoxy-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide
CID 10600007
bis((1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-(benzylamino)anilino]carbamate);hydrate;dihydrochloride
CID 131724024
(1-pyridin-4-ylpiperidin-4-yl) N-(2-aminophenyl)carbamate
CID 10662925
4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 60682262
1-(3,4-dimethylphenyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 86263595
N-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide
CID 31969058
2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 86263544
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-fluoro-4-methylbenzamide
CID 36566549
3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075
N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide
CID 17407608

Frequently Asked Questions

What is the IUPAC name of (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluoro-4-methylbenzoyl)amino]phenyl]carbamate?
The IUPAC name of (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluoro-4-methylbenzoyl)amino]phenyl]carbamate (CID 21352710) is (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluoro-4-methylbenzoyl)amino]phenyl]carbamate.
What is the SMILES notation for (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluoro-4-methylbenzoyl)amino]phenyl]carbamate?
The canonical SMILES for (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluoro-4-methylbenzoyl)amino]phenyl]carbamate is Cc1ccc(C(=O)Nc2ccccc2NC(=O)OCC2CCN(c3ccncc3)CC2)cc1F.
What is the InChIKey of (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluoro-4-methylbenzoyl)amino]phenyl]carbamate?
The InChIKey is NRWAQQPTCYUWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-18-6-7-20(16-22(18)27)25(32)29-23-4-2-3-5-24(23)30-26(33)34-17-19-10-14-31(15-11-19)21-8-12-28-13-9-21/h2-9,12-13,16,19H,10-11,14-15,17H2,1H3,(H,29,32)(H,30,33).
What are the key properties of (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluoro-4-methylbenzoyl)amino]phenyl]carbamate?
(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluoro-4-methylbenzoyl)amino]phenyl]carbamate has a molecular weight of 462.53 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluoro-4-methylbenzoyl)amino]phenyl]carbamate is sourced from PubChem (CID 21352710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).