(8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C18H21N3O — CID 757117

IUPAC(8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCN2CCC[C@@H]2C1
InChIInChI=1S/C18H21N3O/c22-18(21-12-11-20-10-4-7-15(20)13-21)19-17-9-3-6-14-5-1-2-8-16(14)17/h1-3,5-6,8-9,15H,4,7,10-13H2,(H,19,22)/t15-/m1/s1
InChIKeyOUODWPKDKDIYEI-OAHLLOKOSA-N
MW295.39 g/mol
LogP3.15
Rot. Bonds1

About (8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

(8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 757117) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID757117
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCN2CCC[C@@H]2C1
InChIInChI=1S/C18H21N3O/c22-18(21-12-11-20-10-4-7-15(20)13-21)19-17-9-3-6-14-5-1-2-8-16(14)17/h1-3,5-6,8-9,15H,4,7,10-13H2,(H,19,22)/t15-/m1/s1
InChIKeyOUODWPKDKDIYEI-OAHLLOKOSA-N
XLogP3.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
4-(1,1-dioxothiolan-3-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 24616441
N-(2-methylquinolin-5-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 118780526
3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 62536380
(8aS)-N-[2-(cyclopropylmethoxy)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 164642524
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310
(9aS)-N-(2-propan-2-ylphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 72846677
4-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 66903864
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 2979685

Frequently Asked Questions

What is the IUPAC name of (8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 757117) is (8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is O=C(Nc1cccc2ccccc12)N1CCN2CCC[C@@H]2C1.
What is the InChIKey of (8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is OUODWPKDKDIYEI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18(21-12-11-20-10-4-7-15(20)13-21)19-17-9-3-6-14-5-1-2-8-16(14)17/h1-3,5-6,8-9,15H,4,7,10-13H2,(H,19,22)/t15-/m1/s1.
What are the key properties of (8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
(8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 757117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).