1-(4-methoxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopropane-1-carboxamide

C20H24N4O2 — CID 56889984

IUPAC1-(4-methoxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NC3CCCN(c4ncccn4)C3)CC2)cc1
InChIInChI=1S/C20H24N4O2/c1-26-17-7-5-15(6-8-17)20(9-10-20)18(25)23-16-4-2-13-24(14-16)19-21-11-3-12-22-19/h3,5-8,11-12,16H,2,4,9-10,13-14H2,1H3,(H,23,25)
InChIKeyXNCVZTIUXNDNSM-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.30
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopropane-1-carboxamide

1-(4-methoxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopropane-1-carboxamide (PubChem CID 56889984) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopropane-1-carboxamide
PubChem CID56889984
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-(4-methoxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NC3CCCN(c4ncccn4)C3)CC2)cc1
InChIInChI=1S/C20H24N4O2/c1-26-17-7-5-15(6-8-17)20(9-10-20)18(25)23-16-4-2-13-24(14-16)19-21-11-3-12-22-19/h3,5-8,11-12,16H,2,4,9-10,13-14H2,1H3,(H,23,25)
InChIKeyXNCVZTIUXNDNSM-UHFFFAOYSA-N
XLogP2.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopropane-1-carboxamide (CID 56889984) is 1-(4-methoxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)NC3CCCN(c4ncccn4)C3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopropane-1-carboxamide?
The InChIKey is XNCVZTIUXNDNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-26-17-7-5-15(6-8-17)20(9-10-20)18(25)23-16-4-2-13-24(14-16)19-21-11-3-12-22-19/h3,5-8,11-12,16H,2,4,9-10,13-14H2,1H3,(H,23,25).
What are the key properties of 1-(4-methoxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopropane-1-carboxamide?
1-(4-methoxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopropane-1-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 56889984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).