[(1S,3R)-3-aminocyclopentyl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone

C16H25N5O — CID 56897802

IUPAC[(1S,3R)-3-aminocyclopentyl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
SMILESCc1cnc(C)c(N2CCN(C(=O)[C@H]3CC[C@@H](N)C3)CC2)n1
InChIInChI=1S/C16H25N5O/c1-11-10-18-12(2)15(19-11)20-5-7-21(8-6-20)16(22)13-3-4-14(17)9-13/h10,13-14H,3-9,17H2,1-2H3/t13-,14+/m0/s1
InChIKeyBPBFFVVZXLCXLT-UONOGXRCSA-N
MW303.41 g/mol
LogP0.87
Rot. Bonds2

About [(1S,3R)-3-aminocyclopentyl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone

[(1S,3R)-3-aminocyclopentyl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone (PubChem CID 56897802) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is [(1S,3R)-3-aminocyclopentyl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,3R)-3-aminocyclopentyl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
PubChem CID56897802
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name[(1S,3R)-3-aminocyclopentyl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
SMILESCc1cnc(C)c(N2CCN(C(=O)[C@H]3CC[C@@H](N)C3)CC2)n1
InChIInChI=1S/C16H25N5O/c1-11-10-18-12(2)15(19-11)20-5-7-21(8-6-20)16(22)13-3-4-14(17)9-13/h10,13-14H,3-9,17H2,1-2H3/t13-,14+/m0/s1
InChIKeyBPBFFVVZXLCXLT-UONOGXRCSA-N
XLogP0.87
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1S,3R)-3-aminocyclopentyl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

N-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carboxamide
CID 3231148
8-(3,6-Dimethyl-2-pyrazinyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70762560
2-cyclohexyl-N-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]acetamide
CID 91648232
(6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96579994
(5S)-7-(cyclobutylmethyl)-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120243
9-(3,6-dimethylpyrazin-2-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97136804
(5S)-7-(cyclobutylmethyl)-2-(3,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97200571
trans-4-{[(3,6-dimethylpyrazin-2-yl)amino]methyl}-N-methylcyclohexanecarboxamide
CID 132425698
1-(3,6-dimethylpyrazin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 91648181
1-(3,6-dimethylpyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 91648244
(3R)-1-(3,6-dimethylpyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 99855082
(3S)-1-(3,6-dimethylpyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 99855083

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-aminocyclopentyl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [(1S,3R)-3-aminocyclopentyl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone (CID 56897802) is [(1S,3R)-3-aminocyclopentyl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [(1S,3R)-3-aminocyclopentyl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [(1S,3R)-3-aminocyclopentyl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone is Cc1cnc(C)c(N2CCN(C(=O)[C@H]3CC[C@@H](N)C3)CC2)n1.
What is the InChIKey of [(1S,3R)-3-aminocyclopentyl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone?
The InChIKey is BPBFFVVZXLCXLT-UONOGXRCSA-N. The full InChI is InChI=1S/C16H25N5O/c1-11-10-18-12(2)15(19-11)20-5-7-21(8-6-20)16(22)13-3-4-14(17)9-13/h10,13-14H,3-9,17H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of [(1S,3R)-3-aminocyclopentyl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone?
[(1S,3R)-3-aminocyclopentyl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone has a molecular weight of 303.41 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-aminocyclopentyl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 56897802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).