(3R)-N,N-dimethyl-1-[2-(methylamino)acetyl]-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide

C18H29N5O2 — CID 125013693

IUPAC(3R)-N,N-dimethyl-1-[2-(methylamino)acetyl]-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide
SMILESCNCC(=O)N1CCC[C@@](CCCc2cnccn2)(C(=O)N(C)C)C1
InChIInChI=1S/C18H29N5O2/c1-19-13-16(24)23-11-5-8-18(14-23,17(25)22(2)3)7-4-6-15-12-20-9-10-21-15/h9-10,12,19H,4-8,11,13-14H2,1-3H3/t18-/m1/s1
InChIKeyWGYLKNUOYWFVSV-GOSISDBHSA-N
MW347.46 g/mol
LogP0.72
Rot. Bonds7

About (3R)-N,N-dimethyl-1-[2-(methylamino)acetyl]-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide

(3R)-N,N-dimethyl-1-[2-(methylamino)acetyl]-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide (PubChem CID 125013693) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-1-[2-(methylamino)acetyl]-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-1-[2-(methylamino)acetyl]-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide
PubChem CID125013693
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(3R)-N,N-dimethyl-1-[2-(methylamino)acetyl]-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide
SMILESCNCC(=O)N1CCC[C@@](CCCc2cnccn2)(C(=O)N(C)C)C1
InChIInChI=1S/C18H29N5O2/c1-19-13-16(24)23-11-5-8-18(14-23,17(25)22(2)3)7-4-6-15-12-20-9-10-21-15/h9-10,12,19H,4-8,11,13-14H2,1-3H3/t18-/m1/s1
InChIKeyWGYLKNUOYWFVSV-GOSISDBHSA-N
XLogP0.72
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxyethyl)-N,N-dimethyl-4-(3-pyrazin-2-ylpropyl)piperidine-4-carboxamide
CID 125012481
(3S)-N-methyl-1-pyrazin-2-yl-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide
CID 125007457
3-propyl-1-(2-pyrazin-2-ylacetyl)piperidine-3-carboxylic acid
CID 70710542
(3R)-3-(3-pyrazin-2-ylpropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 125018214
N,N,1-trimethyl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
CID 110257993
N,N,1-trimethyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide
CID 110257992
(2R)-1-(2-hydroxyethyl)-N-methyl-2-(3-pyrazin-2-ylpropyl)pyrrolidine-2-carboxamide
CID 125003817
(3S)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 92605059
(3S)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92552155
N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 110232465
N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
CID 110232469
(2S)-1-acetyl-2-(3-pyrazin-2-ylpropyl)azetidine-2-carboxylic acid
CID 95804911

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-1-[2-(methylamino)acetyl]-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N,N-dimethyl-1-[2-(methylamino)acetyl]-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide (CID 125013693) is (3R)-N,N-dimethyl-1-[2-(methylamino)acetyl]-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N,N-dimethyl-1-[2-(methylamino)acetyl]-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N,N-dimethyl-1-[2-(methylamino)acetyl]-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide is CNCC(=O)N1CCC[C@@](CCCc2cnccn2)(C(=O)N(C)C)C1.
What is the InChIKey of (3R)-N,N-dimethyl-1-[2-(methylamino)acetyl]-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide?
The InChIKey is WGYLKNUOYWFVSV-GOSISDBHSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-19-13-16(24)23-11-5-8-18(14-23,17(25)22(2)3)7-4-6-15-12-20-9-10-21-15/h9-10,12,19H,4-8,11,13-14H2,1-3H3/t18-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-1-[2-(methylamino)acetyl]-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide?
(3R)-N,N-dimethyl-1-[2-(methylamino)acetyl]-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-1-[2-(methylamino)acetyl]-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 125013693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).