1-(2-methylpropyl)-N-[5-(prop-1-en-2-ylamino)pentyl]piperidine-4-carboxamide

C18H35N3O — CID 167300808

IUPAC1-(2-methylpropyl)-N-[5-(prop-1-en-2-ylamino)pentyl]piperidine-4-carboxamide
SMILESC=C(C)NCCCCCNC(=O)C1CCN(CC(C)C)CC1
InChIInChI=1S/C18H35N3O/c1-15(2)14-21-12-8-17(9-13-21)18(22)20-11-7-5-6-10-19-16(3)4/h15,17,19H,3,5-14H2,1-2,4H3,(H,20,22)
InChIKeyNYKFGJFTUJCNIT-UHFFFAOYSA-N
MW309.50 g/mol
LogP2.76
Rot. Bonds10

About 1-(2-methylpropyl)-N-[5-(prop-1-en-2-ylamino)pentyl]piperidine-4-carboxamide

1-(2-methylpropyl)-N-[5-(prop-1-en-2-ylamino)pentyl]piperidine-4-carboxamide (PubChem CID 167300808) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-[5-(prop-1-en-2-ylamino)pentyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-[5-(prop-1-en-2-ylamino)pentyl]piperidine-4-carboxamide
PubChem CID167300808
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC Name1-(2-methylpropyl)-N-[5-(prop-1-en-2-ylamino)pentyl]piperidine-4-carboxamide
SMILESC=C(C)NCCCCCNC(=O)C1CCN(CC(C)C)CC1
InChIInChI=1S/C18H35N3O/c1-15(2)14-21-12-8-17(9-13-21)18(22)20-11-7-5-6-10-19-16(3)4/h15,17,19H,3,5-14H2,1-2,4H3,(H,20,22)
InChIKeyNYKFGJFTUJCNIT-UHFFFAOYSA-N
XLogP2.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-[5-(prop-1-en-2-ylamino)pentyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-N-[5-(prop-1-en-2-ylamino)pentyl]piperidine-4-carboxamide (CID 167300808) is 1-(2-methylpropyl)-N-[5-(prop-1-en-2-ylamino)pentyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-N-[5-(prop-1-en-2-ylamino)pentyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-N-[5-(prop-1-en-2-ylamino)pentyl]piperidine-4-carboxamide is C=C(C)NCCCCCNC(=O)C1CCN(CC(C)C)CC1.
What is the InChIKey of 1-(2-methylpropyl)-N-[5-(prop-1-en-2-ylamino)pentyl]piperidine-4-carboxamide?
The InChIKey is NYKFGJFTUJCNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O/c1-15(2)14-21-12-8-17(9-13-21)18(22)20-11-7-5-6-10-19-16(3)4/h15,17,19H,3,5-14H2,1-2,4H3,(H,20,22).
What are the key properties of 1-(2-methylpropyl)-N-[5-(prop-1-en-2-ylamino)pentyl]piperidine-4-carboxamide?
1-(2-methylpropyl)-N-[5-(prop-1-en-2-ylamino)pentyl]piperidine-4-carboxamide has a molecular weight of 309.50 g/mol, XLogP of 2.76, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-[5-(prop-1-en-2-ylamino)pentyl]piperidine-4-carboxamide is sourced from PubChem (CID 167300808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).