(3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide

C19H29N3O3 — CID 94396027

IUPAC(3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide
SMILESCCCNC(=O)[C@H]1CCCN(C(=O)Nc2cccc(OCCC)c2)C1
InChIInChI=1S/C19H29N3O3/c1-3-10-20-18(23)15-7-6-11-22(14-15)19(24)21-16-8-5-9-17(13-16)25-12-4-2/h5,8-9,13,15H,3-4,6-7,10-12,14H2,1-2H3,(H,20,23)(H,21,24)/t15-/m0/s1
InChIKeyBEFUDJXPVNAFHF-HNNXBMFYSA-N
MW347.46 g/mol
LogP3.25
Rot. Bonds7

About (3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide

(3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide (PubChem CID 94396027) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide
PubChem CID94396027
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide
SMILESCCCNC(=O)[C@H]1CCCN(C(=O)Nc2cccc(OCCC)c2)C1
InChIInChI=1S/C19H29N3O3/c1-3-10-20-18(23)15-7-6-11-22(14-15)19(24)21-16-8-5-9-17(13-16)25-12-4-2/h5,8-9,13,15H,3-4,6-7,10-12,14H2,1-2H3,(H,20,23)(H,21,24)/t15-/m0/s1
InChIKeyBEFUDJXPVNAFHF-HNNXBMFYSA-N
XLogP3.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(3-propoxyphenyl)piperidine-1-carboxamide
CID 47202480
1-N-(3-butan-2-yloxyphenyl)-3-N-ethylpiperidine-1,3-dicarboxamide
CID 49117902
1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076774
(3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8530719
1-[3-(3-bromophenoxy)propanoyl]-N-propylpiperidine-3-carboxamide
CID 49402998
3-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55904439
(3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide
CID 95572739
3-N-butyl-1-N-[3-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50845776
(3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9088747
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide
CID 95297501
3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119501337
N-[3-(3-butoxyanilino)-3-oxopropyl]cyclohexanecarboxamide
CID 86877953

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide (CID 94396027) is (3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide is CCCNC(=O)[C@H]1CCCN(C(=O)Nc2cccc(OCCC)c2)C1.
What is the InChIKey of (3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide?
The InChIKey is BEFUDJXPVNAFHF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-10-20-18(23)15-7-6-11-22(14-15)19(24)21-16-8-5-9-17(13-16)25-12-4-2/h5,8-9,13,15H,3-4,6-7,10-12,14H2,1-2H3,(H,20,23)(H,21,24)/t15-/m0/s1.
What are the key properties of (3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide?
(3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide has a molecular weight of 347.46 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 94396027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).