(3S)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C24H30N4O3 — CID 51936456

IUPAC(3S)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C24H30N4O3/c29-23(18-4-3-11-28(16-18)22-15-25-9-10-26-22)27-17-24(7-1-2-8-24)19-5-6-20-21(14-19)31-13-12-30-20/h5-6,9-10,14-15,18H,1-4,7-8,11-13,16-17H2,(H,27,29)/t18-/m0/s1
InChIKeyNVOHHTWDZKORSE-SFHVURJKSA-N
MW422.53 g/mol
LogP3.09
Rot. Bonds5

About (3S)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

(3S)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 51936456) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is (3S)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID51936456
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name(3S)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C24H30N4O3/c29-23(18-4-3-11-28(16-18)22-15-25-9-10-26-22)27-17-24(7-1-2-8-24)19-5-6-20-21(14-19)31-13-12-30-20/h5-6,9-10,14-15,18H,1-4,7-8,11-13,16-17H2,(H,27,29)/t18-/m0/s1
InChIKeyNVOHHTWDZKORSE-SFHVURJKSA-N
XLogP3.09
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide with MolForge

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Related Compounds

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]oxane-4-carboxamide
CID 51283146
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045944
(3S)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639433
(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434
(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
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 71942635
N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46596626
N-[3-(dimethylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597194
3-(1,3-benzodioxol-5-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide
CID 77087086

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 51936456) is (3S)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)[C@H]1CCCN(c2cnccn2)C1.
What is the InChIKey of (3S)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is NVOHHTWDZKORSE-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30N4O3/c29-23(18-4-3-11-28(16-18)22-15-25-9-10-26-22)27-17-24(7-1-2-8-24)19-5-6-20-21(14-19)31-13-12-30-20/h5-6,9-10,14-15,18H,1-4,7-8,11-13,16-17H2,(H,27,29)/t18-/m0/s1.
What are the key properties of (3S)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
(3S)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 51936456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).