N-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide

C19H24N4O2 — CID 67451522

IUPACN-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCC(C)Oc1cccc(-c2ccnc(NC(=O)C3CCNCC3)n2)c1
InChIInChI=1S/C19H24N4O2/c1-13(2)25-16-5-3-4-15(12-16)17-8-11-21-19(22-17)23-18(24)14-6-9-20-10-7-14/h3-5,8,11-14,20H,6-7,9-10H2,1-2H3,(H,21,22,23,24)
InChIKeyWKQUIWPYDIUWJP-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.87
Rot. Bonds5

About N-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide

N-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 67451522) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID67451522
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCC(C)Oc1cccc(-c2ccnc(NC(=O)C3CCNCC3)n2)c1
InChIInChI=1S/C19H24N4O2/c1-13(2)25-16-5-3-4-15(12-16)17-8-11-21-19(22-17)23-18(24)14-6-9-20-10-7-14/h3-5,8,11-14,20H,6-7,9-10H2,1-2H3,(H,21,22,23,24)
InChIKeyWKQUIWPYDIUWJP-UHFFFAOYSA-N
XLogP2.87
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide (CID 67451522) is N-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide is CC(C)Oc1cccc(-c2ccnc(NC(=O)C3CCNCC3)n2)c1.
What is the InChIKey of N-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is WKQUIWPYDIUWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(2)25-16-5-3-4-15(12-16)17-8-11-21-19(22-17)23-18(24)14-6-9-20-10-7-14/h3-5,8,11-14,20H,6-7,9-10H2,1-2H3,(H,21,22,23,24).
What are the key properties of N-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
N-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 67451522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).