3-N-ethyl-3-N-(piperidin-4-ylmethyl)benzene-1,3-dicarboxamide

C16H23N3O2 — CID 79697262

IUPAC3-N-ethyl-3-N-(piperidin-4-ylmethyl)benzene-1,3-dicarboxamide
SMILESCCN(CC1CCNCC1)C(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C16H23N3O2/c1-2-19(11-12-6-8-18-9-7-12)16(21)14-5-3-4-13(10-14)15(17)20/h3-5,10,12,18H,2,6-9,11H2,1H3,(H2,17,20)
InChIKeyJOJLJLCKIKRFAM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.25
Rot. Bonds5

About 3-N-ethyl-3-N-(piperidin-4-ylmethyl)benzene-1,3-dicarboxamide

3-N-ethyl-3-N-(piperidin-4-ylmethyl)benzene-1,3-dicarboxamide (PubChem CID 79697262) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(piperidin-4-ylmethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-ethyl-3-N-(piperidin-4-ylmethyl)benzene-1,3-dicarboxamide
PubChem CID79697262
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-N-ethyl-3-N-(piperidin-4-ylmethyl)benzene-1,3-dicarboxamide
SMILESCCN(CC1CCNCC1)C(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C16H23N3O2/c1-2-19(11-12-6-8-18-9-7-12)16(21)14-5-3-4-13(10-14)15(17)20/h3-5,10,12,18H,2,6-9,11H2,1H3,(H2,17,20)
InChIKeyJOJLJLCKIKRFAM-UHFFFAOYSA-N
XLogP1.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,6-dihydroxy-N-(piperidin-4-ylmethyl)benzamide
CID 107690375
N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 79700663
3-chloro-N-ethyl-4-iodo-N-(piperidin-4-ylmethyl)benzamide
CID 103209649
N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 79698342
N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79721421
4-ethoxy-N-ethyl-N-(piperidin-4-ylmethyl)benzamide
CID 79698338
N-ethyl-N-(piperidin-4-ylmethyl)furan-2-carboxamide
CID 79720984
N-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 79720840
2-[3-[cyclopropylmethyl(ethyl)carbamoyl]phenyl]acetic acid
CID 136546895
3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 104974741
3-[(3-carbamoylbenzoyl)-ethylamino]propanoic acid
CID 61006679
5-chloro-N-ethyl-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82883488

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(piperidin-4-ylmethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-ethyl-3-N-(piperidin-4-ylmethyl)benzene-1,3-dicarboxamide (CID 79697262) is 3-N-ethyl-3-N-(piperidin-4-ylmethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-ethyl-3-N-(piperidin-4-ylmethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-ethyl-3-N-(piperidin-4-ylmethyl)benzene-1,3-dicarboxamide is CCN(CC1CCNCC1)C(=O)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-N-ethyl-3-N-(piperidin-4-ylmethyl)benzene-1,3-dicarboxamide?
The InChIKey is JOJLJLCKIKRFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-19(11-12-6-8-18-9-7-12)16(21)14-5-3-4-13(10-14)15(17)20/h3-5,10,12,18H,2,6-9,11H2,1H3,(H2,17,20).
What are the key properties of 3-N-ethyl-3-N-(piperidin-4-ylmethyl)benzene-1,3-dicarboxamide?
3-N-ethyl-3-N-(piperidin-4-ylmethyl)benzene-1,3-dicarboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-(piperidin-4-ylmethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 79697262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).