4-N-benzyl-1-N-(1-cyclopropylpiperidin-4-yl)piperidine-1,4-dicarboxamide

C22H32N4O2 — CID 87003142

IUPAC4-N-benzyl-1-N-(1-cyclopropylpiperidin-4-yl)piperidine-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)NC2CCN(C3CC3)CC2)CC1
InChIInChI=1S/C22H32N4O2/c27-21(23-16-17-4-2-1-3-5-17)18-8-12-26(13-9-18)22(28)24-19-10-14-25(15-11-19)20-6-7-20/h1-5,18-20H,6-16H2,(H,23,27)(H,24,28)
InChIKeyXZEOWSAVAXKHGV-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.35
Rot. Bonds5

About 4-N-benzyl-1-N-(1-cyclopropylpiperidin-4-yl)piperidine-1,4-dicarboxamide

4-N-benzyl-1-N-(1-cyclopropylpiperidin-4-yl)piperidine-1,4-dicarboxamide (PubChem CID 87003142) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 4-N-benzyl-1-N-(1-cyclopropylpiperidin-4-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-1-N-(1-cyclopropylpiperidin-4-yl)piperidine-1,4-dicarboxamide
PubChem CID87003142
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name4-N-benzyl-1-N-(1-cyclopropylpiperidin-4-yl)piperidine-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)NC2CCN(C3CC3)CC2)CC1
InChIInChI=1S/C22H32N4O2/c27-21(23-16-17-4-2-1-3-5-17)18-8-12-26(13-9-18)22(28)24-19-10-14-25(15-11-19)20-6-7-20/h1-5,18-20H,6-16H2,(H,23,27)(H,24,28)
InChIKeyXZEOWSAVAXKHGV-UHFFFAOYSA-N
XLogP2.35
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(cyclobutanecarbonylamino)piperidine-1-carboxamide
CID 110821711
N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71192982
1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 1083731
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
1-N-cyclopropyl-4-N-[(3-methyl-4-phenylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 166226120
N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide
CID 11035504
N-benzyl-1-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693279
1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
CID 119273066
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
N-cyclopropyl-1-[1-(2-oxo-4-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42456235
N-benzyl-1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 46631267

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-1-N-(1-cyclopropylpiperidin-4-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-1-N-(1-cyclopropylpiperidin-4-yl)piperidine-1,4-dicarboxamide (CID 87003142) is 4-N-benzyl-1-N-(1-cyclopropylpiperidin-4-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-1-N-(1-cyclopropylpiperidin-4-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-1-N-(1-cyclopropylpiperidin-4-yl)piperidine-1,4-dicarboxamide is O=C(NCc1ccccc1)C1CCN(C(=O)NC2CCN(C3CC3)CC2)CC1.
What is the InChIKey of 4-N-benzyl-1-N-(1-cyclopropylpiperidin-4-yl)piperidine-1,4-dicarboxamide?
The InChIKey is XZEOWSAVAXKHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c27-21(23-16-17-4-2-1-3-5-17)18-8-12-26(13-9-18)22(28)24-19-10-14-25(15-11-19)20-6-7-20/h1-5,18-20H,6-16H2,(H,23,27)(H,24,28).
What are the key properties of 4-N-benzyl-1-N-(1-cyclopropylpiperidin-4-yl)piperidine-1,4-dicarboxamide?
4-N-benzyl-1-N-(1-cyclopropylpiperidin-4-yl)piperidine-1,4-dicarboxamide has a molecular weight of 384.52 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-1-N-(1-cyclopropylpiperidin-4-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 87003142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).