4-[4-[(2,2-dimethyl-4-piperidin-1-ylbutyl)carbamoylamino]phenyl]-N-methylbenzamide

C26H36N4O2 — CID 143531635

IUPAC4-[4-[(2,2-dimethyl-4-piperidin-1-ylbutyl)carbamoylamino]phenyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc(NC(=O)NCC(C)(C)CCN3CCCCC3)cc2)cc1
InChIInChI=1S/C26H36N4O2/c1-26(2,15-18-30-16-5-4-6-17-30)19-28-25(32)29-23-13-11-21(12-14-23)20-7-9-22(10-8-20)24(31)27-3/h7-14H,4-6,15-19H2,1-3H3,(H,27,31)(H2,28,29,32)
InChIKeyHSRIWQPAJNHUBX-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.74
Rot. Bonds8

About 4-[4-[(2,2-dimethyl-4-piperidin-1-ylbutyl)carbamoylamino]phenyl]-N-methylbenzamide

4-[4-[(2,2-dimethyl-4-piperidin-1-ylbutyl)carbamoylamino]phenyl]-N-methylbenzamide (PubChem CID 143531635) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 4-[4-[(2,2-dimethyl-4-piperidin-1-ylbutyl)carbamoylamino]phenyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[4-[(2,2-dimethyl-4-piperidin-1-ylbutyl)carbamoylamino]phenyl]-N-methylbenzamide
PubChem CID143531635
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name4-[4-[(2,2-dimethyl-4-piperidin-1-ylbutyl)carbamoylamino]phenyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc(NC(=O)NCC(C)(C)CCN3CCCCC3)cc2)cc1
InChIInChI=1S/C26H36N4O2/c1-26(2,15-18-30-16-5-4-6-17-30)19-28-25(32)29-23-13-11-21(12-14-23)20-7-9-22(10-8-20)24(31)27-3/h7-14H,4-6,15-19H2,1-3H3,(H,27,31)(H2,28,29,32)
InChIKeyHSRIWQPAJNHUBX-UHFFFAOYSA-N
XLogP4.74
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-chlorophenyl)phenyl]-3-(2,2-dimethyl-4-piperidin-1-ylbutyl)urea
CID 143531550
1-(4-acetylphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 60797109
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 87006985
N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47200661
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide
CID 55409462
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119885629
N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride
CID 155569851
3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide
CID 8679990
1-(4-aminophenyl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 55097980
1-[4-(N-amino-N-methylcarbamimidoyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea
CID 142103423
1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea
CID 143531596

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,2-dimethyl-4-piperidin-1-ylbutyl)carbamoylamino]phenyl]-N-methylbenzamide?
The IUPAC name of 4-[4-[(2,2-dimethyl-4-piperidin-1-ylbutyl)carbamoylamino]phenyl]-N-methylbenzamide (CID 143531635) is 4-[4-[(2,2-dimethyl-4-piperidin-1-ylbutyl)carbamoylamino]phenyl]-N-methylbenzamide.
What is the SMILES notation for 4-[4-[(2,2-dimethyl-4-piperidin-1-ylbutyl)carbamoylamino]phenyl]-N-methylbenzamide?
The canonical SMILES for 4-[4-[(2,2-dimethyl-4-piperidin-1-ylbutyl)carbamoylamino]phenyl]-N-methylbenzamide is CNC(=O)c1ccc(-c2ccc(NC(=O)NCC(C)(C)CCN3CCCCC3)cc2)cc1.
What is the InChIKey of 4-[4-[(2,2-dimethyl-4-piperidin-1-ylbutyl)carbamoylamino]phenyl]-N-methylbenzamide?
The InChIKey is HSRIWQPAJNHUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-26(2,15-18-30-16-5-4-6-17-30)19-28-25(32)29-23-13-11-21(12-14-23)20-7-9-22(10-8-20)24(31)27-3/h7-14H,4-6,15-19H2,1-3H3,(H,27,31)(H2,28,29,32).
What are the key properties of 4-[4-[(2,2-dimethyl-4-piperidin-1-ylbutyl)carbamoylamino]phenyl]-N-methylbenzamide?
4-[4-[(2,2-dimethyl-4-piperidin-1-ylbutyl)carbamoylamino]phenyl]-N-methylbenzamide has a molecular weight of 436.60 g/mol, XLogP of 4.74, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,2-dimethyl-4-piperidin-1-ylbutyl)carbamoylamino]phenyl]-N-methylbenzamide is sourced from PubChem (CID 143531635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).