5-amino-N-[(Z)-4-[(5R)-3,5-dimethylpiperidin-1-yl]hept-2-enyl]pentanamide

C19H37N3O — CID 70974414

IUPAC5-amino-N-[(Z)-4-[(5R)-3,5-dimethylpiperidin-1-yl]hept-2-enyl]pentanamide
SMILESCCCC(/C=C\CNC(=O)CCCCN)N1CC(C)C[C@@H](C)C1
InChIInChI=1S/C19H37N3O/c1-4-8-18(22-14-16(2)13-17(3)15-22)9-7-12-21-19(23)10-5-6-11-20/h7,9,16-18H,4-6,8,10-15,20H2,1-3H3,(H,21,23)/b9-7-/t16-,17?,18?/m1/s1
InChIKeyQUGDERHNSHXGRQ-JREBBFEZSA-N
MW323.53 g/mol
LogP2.93
Rot. Bonds10

About 5-amino-N-[(Z)-4-[(5R)-3,5-dimethylpiperidin-1-yl]hept-2-enyl]pentanamide

5-amino-N-[(Z)-4-[(5R)-3,5-dimethylpiperidin-1-yl]hept-2-enyl]pentanamide (PubChem CID 70974414) has the molecular formula C19H37N3O and a molecular weight of 323.53 g/mol. Its IUPAC name is 5-amino-N-[(Z)-4-[(5R)-3,5-dimethylpiperidin-1-yl]hept-2-enyl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[(Z)-4-[(5R)-3,5-dimethylpiperidin-1-yl]hept-2-enyl]pentanamide
PubChem CID70974414
Molecular FormulaC19H37N3O
Molecular Weight323.53 g/mol
Exact Mass323.29
IUPAC Name5-amino-N-[(Z)-4-[(5R)-3,5-dimethylpiperidin-1-yl]hept-2-enyl]pentanamide
SMILESCCCC(/C=C\CNC(=O)CCCCN)N1CC(C)C[C@@H](C)C1
InChIInChI=1S/C19H37N3O/c1-4-8-18(22-14-16(2)13-17(3)15-22)9-7-12-21-19(23)10-5-6-11-20/h7,9,16-18H,4-6,8,10-15,20H2,1-3H3,(H,21,23)/b9-7-/t16-,17?,18?/m1/s1
InChIKeyQUGDERHNSHXGRQ-JREBBFEZSA-N
XLogP2.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(Z)-4-[(5R)-3,5-dimethylpiperidin-1-yl]hept-2-enyl]pentanamide?
The IUPAC name of 5-amino-N-[(Z)-4-[(5R)-3,5-dimethylpiperidin-1-yl]hept-2-enyl]pentanamide (CID 70974414) is 5-amino-N-[(Z)-4-[(5R)-3,5-dimethylpiperidin-1-yl]hept-2-enyl]pentanamide.
What is the SMILES notation for 5-amino-N-[(Z)-4-[(5R)-3,5-dimethylpiperidin-1-yl]hept-2-enyl]pentanamide?
The canonical SMILES for 5-amino-N-[(Z)-4-[(5R)-3,5-dimethylpiperidin-1-yl]hept-2-enyl]pentanamide is CCCC(/C=C\CNC(=O)CCCCN)N1CC(C)C[C@@H](C)C1.
What is the InChIKey of 5-amino-N-[(Z)-4-[(5R)-3,5-dimethylpiperidin-1-yl]hept-2-enyl]pentanamide?
The InChIKey is QUGDERHNSHXGRQ-JREBBFEZSA-N. The full InChI is InChI=1S/C19H37N3O/c1-4-8-18(22-14-16(2)13-17(3)15-22)9-7-12-21-19(23)10-5-6-11-20/h7,9,16-18H,4-6,8,10-15,20H2,1-3H3,(H,21,23)/b9-7-/t16-,17?,18?/m1/s1.
What are the key properties of 5-amino-N-[(Z)-4-[(5R)-3,5-dimethylpiperidin-1-yl]hept-2-enyl]pentanamide?
5-amino-N-[(Z)-4-[(5R)-3,5-dimethylpiperidin-1-yl]hept-2-enyl]pentanamide has a molecular weight of 323.53 g/mol, XLogP of 2.93, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(Z)-4-[(5R)-3,5-dimethylpiperidin-1-yl]hept-2-enyl]pentanamide is sourced from PubChem (CID 70974414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).