(3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide

C18H27N3O4 — CID 95572739

IUPAC(3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCOCCOc1cccc(NC(=O)N2CCC[C@H](C(=O)N(C)C)C2)c1
InChIInChI=1S/C18H27N3O4/c1-20(2)17(22)14-6-5-9-21(13-14)18(23)19-15-7-4-8-16(12-15)25-11-10-24-3/h4,7-8,12,14H,5-6,9-11,13H2,1-3H3,(H,19,23)/t14-/m0/s1
InChIKeyDLVVXNQBESFESR-AWEZNQCLSA-N
MW349.43 g/mol
LogP2.04
Rot. Bonds6

About (3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide

(3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide (PubChem CID 95572739) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is (3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide
PubChem CID95572739
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name(3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCOCCOc1cccc(NC(=O)N2CCC[C@H](C(=O)N(C)C)C2)c1
InChIInChI=1S/C18H27N3O4/c1-20(2)17(22)14-6-5-9-21(13-14)18(23)19-15-7-4-8-16(12-15)25-11-10-24-3/h4,7-8,12,14H,5-6,9-11,13H2,1-3H3,(H,19,23)/t14-/m0/s1
InChIKeyDLVVXNQBESFESR-AWEZNQCLSA-N
XLogP2.04
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076774
(3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95168046
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide
CID 95297501
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 3872908
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide
CID 95592117
(3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide
CID 94396027
3-hydroxy-N-(3-propoxyphenyl)piperidine-1-carboxamide
CID 47202480
1-N-[3-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3574463
1-[(3-prop-2-ynoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122079740
1-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076825
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 54814501

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide (CID 95572739) is (3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide is COCCOc1cccc(NC(=O)N2CCC[C@H](C(=O)N(C)C)C2)c1.
What is the InChIKey of (3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide?
The InChIKey is DLVVXNQBESFESR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-20(2)17(22)14-6-5-9-21(13-14)18(23)19-15-7-4-8-16(12-15)25-11-10-24-3/h4,7-8,12,14H,5-6,9-11,13H2,1-3H3,(H,19,23)/t14-/m0/s1.
What are the key properties of (3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide?
(3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 95572739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).