(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C16H27N5O — CID 94045944

IUPAC(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCCN(CC)CCNC(=O)[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C16H27N5O/c1-3-20(4-2)11-9-19-16(22)14-6-5-10-21(13-14)15-12-17-7-8-18-15/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyPTUUAMNQBWUMAI-AWEZNQCLSA-N
MW305.43 g/mol
LogP1.15
Rot. Bonds7

About (3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 94045944) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is (3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID94045944
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCCN(CC)CCNC(=O)[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C16H27N5O/c1-3-20(4-2)11-9-19-16(22)14-6-5-10-21(13-14)15-12-17-7-8-18-15/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyPTUUAMNQBWUMAI-AWEZNQCLSA-N
XLogP1.15
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
(3R)-1-pyrazin-2-yl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 37392327
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51950392
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate
CID 37002369
N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 20952150
(3S)-N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 92708784
N-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46431901
(3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37000668
(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434
N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46596626

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 94045944) is (3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is CCN(CC)CCNC(=O)[C@H]1CCCN(c2cnccn2)C1.
What is the InChIKey of (3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is PTUUAMNQBWUMAI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H27N5O/c1-3-20(4-2)11-9-19-16(22)14-6-5-10-21(13-14)15-12-17-7-8-18-15/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 94045944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).