2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide

C22H28N4O — CID 109249597

IUPAC2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide
SMILESO=C(NC1CCCC1)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C22H28N4O/c27-21(25-20-8-4-5-9-20)19-15-23-22(24-16-19)26-12-10-18(11-13-26)14-17-6-2-1-3-7-17/h1-3,6-7,15-16,18,20H,4-5,8-14H2,(H,25,27)
InChIKeyABLKPWFXEZRVRN-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.61
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide

2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide (PubChem CID 109249597) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide
PubChem CID109249597
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide
SMILESO=C(NC1CCCC1)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C22H28N4O/c27-21(25-20-8-4-5-9-20)19-15-23-22(24-16-19)26-12-10-18(11-13-26)14-17-6-2-1-3-7-17/h1-3,6-7,15-16,18,20H,4-5,8-14H2,(H,25,27)
InChIKeyABLKPWFXEZRVRN-UHFFFAOYSA-N
XLogP3.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide (CID 109249597) is 2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide is O=C(NC1CCCC1)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide?
The InChIKey is ABLKPWFXEZRVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c27-21(25-20-8-4-5-9-20)19-15-23-22(24-16-19)26-12-10-18(11-13-26)14-17-6-2-1-3-7-17/h1-3,6-7,15-16,18,20H,4-5,8-14H2,(H,25,27).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide?
2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide is sourced from PubChem (CID 109249597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).