7-[(3S)-6-oxo-1-propylpiperidine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

C16H23N5O3 — CID 95200989

IUPAC7-[(3S)-6-oxo-1-propylpiperidine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESCCCN1C[C@@H](C(=O)N2CCn3c(C(N)=O)cnc3C2)CCC1=O
InChIInChI=1S/C16H23N5O3/c1-2-5-19-9-11(3-4-14(19)22)16(24)20-6-7-21-12(15(17)23)8-18-13(21)10-20/h8,11H,2-7,9-10H2,1H3,(H2,17,23)/t11-/m0/s1
InChIKeyIWTWLZPYOUOTHY-NSHDSACASA-N
MW333.39 g/mol
LogP-0.03
Rot. Bonds4

About 7-[(3S)-6-oxo-1-propylpiperidine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

7-[(3S)-6-oxo-1-propylpiperidine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 95200989) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 7-[(3S)-6-oxo-1-propylpiperidine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name7-[(3S)-6-oxo-1-propylpiperidine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
PubChem CID95200989
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name7-[(3S)-6-oxo-1-propylpiperidine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESCCCN1C[C@@H](C(=O)N2CCn3c(C(N)=O)cnc3C2)CCC1=O
InChIInChI=1S/C16H23N5O3/c1-2-5-19-9-11(3-4-14(19)22)16(24)20-6-7-21-12(15(17)23)8-18-13(21)10-20/h8,11H,2-7,9-10H2,1H3,(H2,17,23)/t11-/m0/s1
InChIKeyIWTWLZPYOUOTHY-NSHDSACASA-N
XLogP-0.03
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-6-oxo-1-propylpiperidine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of 7-[(3S)-6-oxo-1-propylpiperidine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (CID 95200989) is 7-[(3S)-6-oxo-1-propylpiperidine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for 7-[(3S)-6-oxo-1-propylpiperidine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for 7-[(3S)-6-oxo-1-propylpiperidine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is CCCN1C[C@@H](C(=O)N2CCn3c(C(N)=O)cnc3C2)CCC1=O.
What is the InChIKey of 7-[(3S)-6-oxo-1-propylpiperidine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is IWTWLZPYOUOTHY-NSHDSACASA-N. The full InChI is InChI=1S/C16H23N5O3/c1-2-5-19-9-11(3-4-14(19)22)16(24)20-6-7-21-12(15(17)23)8-18-13(21)10-20/h8,11H,2-7,9-10H2,1H3,(H2,17,23)/t11-/m0/s1.
What are the key properties of 7-[(3S)-6-oxo-1-propylpiperidine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
7-[(3S)-6-oxo-1-propylpiperidine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-6-oxo-1-propylpiperidine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 95200989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).