1-[1-(1-methylpiperidine-2-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide

C21H38N4O2 — CID 45235957

IUPAC1-[1-(1-methylpiperidine-2-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C2CCN(C(=O)C3CCCCN3C)CC2)CC1
InChIInChI=1S/C21H38N4O2/c1-16(2)22-20(26)17-7-12-24(13-8-17)18-9-14-25(15-10-18)21(27)19-6-4-5-11-23(19)3/h16-19H,4-15H2,1-3H3,(H,22,26)
InChIKeyXOWOIGDZFKPCKD-UHFFFAOYSA-N
MW378.56 g/mol
LogP1.70
Rot. Bonds4

About 1-[1-(1-methylpiperidine-2-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide

1-[1-(1-methylpiperidine-2-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 45235957) has the molecular formula C21H38N4O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 1-[1-(1-methylpiperidine-2-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(1-methylpiperidine-2-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID45235957
Molecular FormulaC21H38N4O2
Molecular Weight378.56 g/mol
Exact Mass378.30
IUPAC Name1-[1-(1-methylpiperidine-2-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C2CCN(C(=O)C3CCCCN3C)CC2)CC1
InChIInChI=1S/C21H38N4O2/c1-16(2)22-20(26)17-7-12-24(13-8-17)18-9-14-25(15-10-18)21(27)19-6-4-5-11-23(19)3/h16-19H,4-15H2,1-3H3,(H,22,26)
InChIKeyXOWOIGDZFKPCKD-UHFFFAOYSA-N
XLogP1.70
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylpiperidine-2-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-(1-methylpiperidine-2-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide (CID 45235957) is 1-[1-(1-methylpiperidine-2-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(1-methylpiperidine-2-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-(1-methylpiperidine-2-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(C2CCN(C(=O)C3CCCCN3C)CC2)CC1.
What is the InChIKey of 1-[1-(1-methylpiperidine-2-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is XOWOIGDZFKPCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O2/c1-16(2)22-20(26)17-7-12-24(13-8-17)18-9-14-25(15-10-18)21(27)19-6-4-5-11-23(19)3/h16-19H,4-15H2,1-3H3,(H,22,26).
What are the key properties of 1-[1-(1-methylpiperidine-2-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[1-(1-methylpiperidine-2-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 378.56 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylpiperidine-2-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 45235957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).