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

C20H30N4O3 — CID 46038581

IUPAC2-[4-(ethylcarbamoylamino)piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCCNC(=O)NC1CCN(c2ccccc2C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C20H30N4O3/c1-2-21-20(26)23-15-9-11-24(12-10-15)18-8-4-3-7-17(18)19(25)22-14-16-6-5-13-27-16/h3-4,7-8,15-16H,2,5-6,9-14H2,1H3,(H,22,25)(H2,21,23,26)
InChIKeyJKSVWYILVLHOPS-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.88
Rot. Bonds6

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

2-[4-(ethylcarbamoylamino)piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 46038581) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[4-(ethylcarbamoylamino)piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[4-(ethylcarbamoylamino)piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID46038581
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name2-[4-(ethylcarbamoylamino)piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCCNC(=O)NC1CCN(c2ccccc2C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C20H30N4O3/c1-2-21-20(26)23-15-9-11-24(12-10-15)18-8-4-3-7-17(18)19(25)22-14-16-6-5-13-27-16/h3-4,7-8,15-16H,2,5-6,9-14H2,1H3,(H,22,25)(H2,21,23,26)
InChIKeyJKSVWYILVLHOPS-UHFFFAOYSA-N
XLogP1.88
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46038584
N-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 93324114
1-ethyl-3-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]urea
CID 46038614
5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1065756
ethyl 2-[4-(oxolan-2-ylmethylcarbamoyl)piperazin-1-yl]benzoate
CID 113105636
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 3283955
N-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylbenzamide
CID 27260765
N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848215
2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylcarbamoylamino)piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[4-(ethylcarbamoylamino)piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide (CID 46038581) is 2-[4-(ethylcarbamoylamino)piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[4-(ethylcarbamoylamino)piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[4-(ethylcarbamoylamino)piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide is CCNC(=O)NC1CCN(c2ccccc2C(=O)NCC2CCCO2)CC1.
What is the InChIKey of 2-[4-(ethylcarbamoylamino)piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is JKSVWYILVLHOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-2-21-20(26)23-15-9-11-24(12-10-15)18-8-4-3-7-17(18)19(25)22-14-16-6-5-13-27-16/h3-4,7-8,15-16H,2,5-6,9-14H2,1H3,(H,22,25)(H2,21,23,26).
What are the key properties of 2-[4-(ethylcarbamoylamino)piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide?
2-[4-(ethylcarbamoylamino)piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 374.49 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylcarbamoylamino)piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 46038581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).