4-methoxy-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide

C26H29N5O3 — CID 10600007

IUPAC4-methoxy-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2NC(=O)NCC2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C26H29N5O3/c1-34-22-8-6-20(7-9-22)25(32)29-23-4-2-3-5-24(23)30-26(33)28-18-19-12-16-31(17-13-19)21-10-14-27-15-11-21/h2-11,14-15,19H,12-13,16-18H2,1H3,(H,29,32)(H2,28,30,33)
InChIKeyWCTNXYFGWOEMDP-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.38
Rot. Bonds7

About 4-methoxy-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide

4-methoxy-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide (PubChem CID 10600007) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 4-methoxy-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide
PubChem CID10600007
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC Name4-methoxy-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2NC(=O)NCC2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C26H29N5O3/c1-34-22-8-6-20(7-9-22)25(32)29-23-4-2-3-5-24(23)30-26(33)28-18-19-12-16-31(17-13-19)21-10-14-27-15-11-21/h2-11,14-15,19H,12-13,16-18H2,1H3,(H,29,32)(H2,28,30,33)
InChIKeyWCTNXYFGWOEMDP-UHFFFAOYSA-N
XLogP4.38
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 121108845
1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108687
4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108698
1-(3,4-dimethylphenyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 86263595
1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 86263594
(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluoro-4-methylbenzoyl)amino]phenyl]carbamate
CID 21352710
2-(2-methoxyphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 86263567
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 110640547
1-(2-fluorophenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624876
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 110640583
1-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2-methylphenyl)urea
CID 95157772

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide (CID 10600007) is 4-methoxy-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2NC(=O)NCC2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide?
The InChIKey is WCTNXYFGWOEMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-34-22-8-6-20(7-9-22)25(32)29-23-4-2-3-5-24(23)30-26(33)28-18-19-12-16-31(17-13-19)21-10-14-27-15-11-21/h2-11,14-15,19H,12-13,16-18H2,1H3,(H,29,32)(H2,28,30,33).
What are the key properties of 4-methoxy-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide?
4-methoxy-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide has a molecular weight of 459.55 g/mol, XLogP of 4.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide is sourced from PubChem (CID 10600007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).