3-N-(1-cyclopropylpiperidin-4-yl)-1-N-phenylpiperidine-1,3-dicarboxamide

C21H30N4O2 — CID 55561482

IUPAC3-N-(1-cyclopropylpiperidin-4-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESO=C(NC1CCN(C2CC2)CC1)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H30N4O2/c26-20(22-18-10-13-24(14-11-18)19-8-9-19)16-5-4-12-25(15-16)21(27)23-17-6-2-1-3-7-17/h1-3,6-7,16,18-19H,4-5,8-15H2,(H,22,26)(H,23,27)
InChIKeyLZLOXKFJAPUKNI-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.67
Rot. Bonds4

About 3-N-(1-cyclopropylpiperidin-4-yl)-1-N-phenylpiperidine-1,3-dicarboxamide

3-N-(1-cyclopropylpiperidin-4-yl)-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 55561482) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-N-(1-cyclopropylpiperidin-4-yl)-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1-cyclopropylpiperidin-4-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID55561482
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name3-N-(1-cyclopropylpiperidin-4-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESO=C(NC1CCN(C2CC2)CC1)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H30N4O2/c26-20(22-18-10-13-24(14-11-18)19-8-9-19)16-5-4-12-25(15-16)21(27)23-17-6-2-1-3-7-17/h1-3,6-7,16,18-19H,4-5,8-15H2,(H,22,26)(H,23,27)
InChIKeyLZLOXKFJAPUKNI-UHFFFAOYSA-N
XLogP2.67
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-(1-cyclopropylpiperidin-4-yl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(1-cyclopropylpiperidin-4-yl)-1-N-phenylpiperidine-1,3-dicarboxamide (CID 55561482) is 3-N-(1-cyclopropylpiperidin-4-yl)-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(1-cyclopropylpiperidin-4-yl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(1-cyclopropylpiperidin-4-yl)-1-N-phenylpiperidine-1,3-dicarboxamide is O=C(NC1CCN(C2CC2)CC1)C1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-N-(1-cyclopropylpiperidin-4-yl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is LZLOXKFJAPUKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c26-20(22-18-10-13-24(14-11-18)19-8-9-19)16-5-4-12-25(15-16)21(27)23-17-6-2-1-3-7-17/h1-3,6-7,16,18-19H,4-5,8-15H2,(H,22,26)(H,23,27).
What are the key properties of 3-N-(1-cyclopropylpiperidin-4-yl)-1-N-phenylpiperidine-1,3-dicarboxamide?
3-N-(1-cyclopropylpiperidin-4-yl)-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-cyclopropylpiperidin-4-yl)-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 55561482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).