2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide

C25H32N4O3 — CID 46038584

IUPAC2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(NC(=O)NC2CCN(c3ccccc3C(=O)NCC3CCCO3)CC2)cc1
InChIInChI=1S/C25H32N4O3/c1-18-8-10-19(11-9-18)27-25(31)28-20-12-14-29(15-13-20)23-7-3-2-6-22(23)24(30)26-17-21-5-4-16-32-21/h2-3,6-11,20-21H,4-5,12-17H2,1H3,(H,26,30)(H2,27,28,31)
InChIKeySASMMTARBLGBPH-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.69
Rot. Bonds6

About 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide

2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 46038584) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID46038584
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(NC(=O)NC2CCN(c3ccccc3C(=O)NCC3CCCO3)CC2)cc1
InChIInChI=1S/C25H32N4O3/c1-18-8-10-19(11-9-18)27-25(31)28-20-12-14-29(15-13-20)23-7-3-2-6-22(23)24(30)26-17-21-5-4-16-32-21/h2-3,6-11,20-21H,4-5,12-17H2,1H3,(H,26,30)(H2,27,28,31)
InChIKeySASMMTARBLGBPH-UHFFFAOYSA-N
XLogP3.69
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(ethylcarbamoylamino)piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46038581
2-[4-(ethylcarbamoylamino)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93324275
2-(4-acetamidopiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 46037624
5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1065756
N-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 93324114
N-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide
CID 46038653
5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 3283955
5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42662041
4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42579542
5-[(4-bromophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 5199981
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide (CID 46038584) is 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide is Cc1ccc(NC(=O)NC2CCN(c3ccccc3C(=O)NCC3CCCO3)CC2)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is SASMMTARBLGBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-18-8-10-19(11-9-18)27-25(31)28-20-12-14-29(15-13-20)23-7-3-2-6-22(23)24(30)26-17-21-5-4-16-32-21/h2-3,6-11,20-21H,4-5,12-17H2,1H3,(H,26,30)(H2,27,28,31).
What are the key properties of 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide?
2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 436.56 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 46038584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).