N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C22H30N4O — CID 42950718

IUPACN-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)C2CCCN(c3cnccn3)C2)cc1
InChIInChI=1S/C22H30N4O/c1-16(2)13-18-6-8-19(9-7-18)17(3)25-22(27)20-5-4-12-26(15-20)21-14-23-10-11-24-21/h6-11,14,16-17,20H,4-5,12-13,15H2,1-3H3,(H,25,27)
InChIKeyIUOGKEMPMIOZKI-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.77
Rot. Bonds6

About N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 42950718) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID42950718
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)C2CCCN(c3cnccn3)C2)cc1
InChIInChI=1S/C22H30N4O/c1-16(2)13-18-6-8-19(9-7-18)17(3)25-22(27)20-5-4-12-26(15-20)21-14-23-10-11-24-21/h6-11,14,16-17,20H,4-5,12-13,15H2,1-3H3,(H,25,27)
InChIKeyIUOGKEMPMIOZKI-UHFFFAOYSA-N
XLogP3.77
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3R)-N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51950210
N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide
CID 112791720
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46596626
(3R)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94129224
N-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46431901
(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434
N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46573311
(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068386
(3R)-N-[(2S)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068382
ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate
CID 37002369

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 42950718) is N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is CC(C)Cc1ccc(C(C)NC(=O)C2CCCN(c3cnccn3)C2)cc1.
What is the InChIKey of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is IUOGKEMPMIOZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-16(2)13-18-6-8-19(9-7-18)17(3)25-22(27)20-5-4-12-26(15-20)21-14-23-10-11-24-21/h6-11,14,16-17,20H,4-5,12-13,15H2,1-3H3,(H,25,27).
What are the key properties of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 42950718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).