N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

C18H22N4O — CID 1442082

IUPACN-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H22N4O/c23-17(19-12-7-15-5-2-1-3-6-15)16-8-13-22(14-9-16)18-20-10-4-11-21-18/h1-6,10-11,16H,7-9,12-14H2,(H,19,23)
InChIKeyBDQPCCJLAUHFSX-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.05
Rot. Bonds5

About N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 1442082) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID1442082
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H22N4O/c23-17(19-12-7-15-5-2-1-3-6-15)16-8-13-22(14-9-16)18-20-10-4-11-21-18/h1-6,10-11,16H,7-9,12-14H2,(H,19,23)
InChIKeyBDQPCCJLAUHFSX-UHFFFAOYSA-N
XLogP2.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442114
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3224206
1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 134699717
1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 70770161
N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 651470
N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 43814859
N-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42240976
N-(2-phenylethyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 119074881
N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109307879
N'-benzoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
CID 3223145
N-(3-phenylpropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide
CID 53129966

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 1442082) is N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is O=C(NCCc1ccccc1)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is BDQPCCJLAUHFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-17(19-12-7-15-5-2-1-3-6-15)16-8-13-22(14-9-16)18-20-10-4-11-21-18/h1-6,10-11,16H,7-9,12-14H2,(H,19,23).
What are the key properties of N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 1442082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).