1-N-(3-butan-2-yloxyphenyl)-3-N-ethylpiperidine-1,3-dicarboxamide

C19H29N3O3 — CID 49117902

IUPAC1-N-(3-butan-2-yloxyphenyl)-3-N-ethylpiperidine-1,3-dicarboxamide
SMILESCCNC(=O)C1CCCN(C(=O)Nc2cccc(OC(C)CC)c2)C1
InChIInChI=1S/C19H29N3O3/c1-4-14(3)25-17-10-6-9-16(12-17)21-19(24)22-11-7-8-15(13-22)18(23)20-5-2/h6,9-10,12,14-15H,4-5,7-8,11,13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyXOEUQAJJZPTWCP-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.24
Rot. Bonds6

About 1-N-(3-butan-2-yloxyphenyl)-3-N-ethylpiperidine-1,3-dicarboxamide

1-N-(3-butan-2-yloxyphenyl)-3-N-ethylpiperidine-1,3-dicarboxamide (PubChem CID 49117902) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-N-(3-butan-2-yloxyphenyl)-3-N-ethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-butan-2-yloxyphenyl)-3-N-ethylpiperidine-1,3-dicarboxamide
PubChem CID49117902
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-N-(3-butan-2-yloxyphenyl)-3-N-ethylpiperidine-1,3-dicarboxamide
SMILESCCNC(=O)C1CCCN(C(=O)Nc2cccc(OC(C)CC)c2)C1
InChIInChI=1S/C19H29N3O3/c1-4-14(3)25-17-10-6-9-16(12-17)21-19(24)22-11-7-8-15(13-22)18(23)20-5-2/h6,9-10,12,14-15H,4-5,7-8,11,13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyXOEUQAJJZPTWCP-UHFFFAOYSA-N
XLogP3.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide
CID 94396027
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
(3aS,4R,7R,7aS)-N-[3-[(2S)-butan-2-yl]oxyphenyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide
CID 129378260
(3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7435243
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 3872908
3-N-[(2R)-2-(ethylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 120650058
(3S)-N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide
CID 26406225
N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide
CID 45250289
2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone
CID 62328413
2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119223360
(3R)-3-N-ethyl-1-N-[4-[(4-ethylphenyl)carbamoylamino]phenyl]piperidine-1,3-dicarboxamide
CID 95116259
1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076774

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-butan-2-yloxyphenyl)-3-N-ethylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-butan-2-yloxyphenyl)-3-N-ethylpiperidine-1,3-dicarboxamide (CID 49117902) is 1-N-(3-butan-2-yloxyphenyl)-3-N-ethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-butan-2-yloxyphenyl)-3-N-ethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-butan-2-yloxyphenyl)-3-N-ethylpiperidine-1,3-dicarboxamide is CCNC(=O)C1CCCN(C(=O)Nc2cccc(OC(C)CC)c2)C1.
What is the InChIKey of 1-N-(3-butan-2-yloxyphenyl)-3-N-ethylpiperidine-1,3-dicarboxamide?
The InChIKey is XOEUQAJJZPTWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-4-14(3)25-17-10-6-9-16(12-17)21-19(24)22-11-7-8-15(13-22)18(23)20-5-2/h6,9-10,12,14-15H,4-5,7-8,11,13H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 1-N-(3-butan-2-yloxyphenyl)-3-N-ethylpiperidine-1,3-dicarboxamide?
1-N-(3-butan-2-yloxyphenyl)-3-N-ethylpiperidine-1,3-dicarboxamide has a molecular weight of 347.46 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-butan-2-yloxyphenyl)-3-N-ethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 49117902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).