N-(2-cyclopropylpyrimidin-5-yl)-4-phenylpiperazine-1-carboxamide

C18H21N5O — CID 98430279

IUPACN-(2-cyclopropylpyrimidin-5-yl)-4-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1cnc(C2CC2)nc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H21N5O/c24-18(21-15-12-19-17(20-13-15)14-6-7-14)23-10-8-22(9-11-23)16-4-2-1-3-5-16/h1-5,12-14H,6-11H2,(H,21,24)
InChIKeyHEMTWAZVGDUAHN-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.71
Rot. Bonds3

About N-(2-cyclopropylpyrimidin-5-yl)-4-phenylpiperazine-1-carboxamide

N-(2-cyclopropylpyrimidin-5-yl)-4-phenylpiperazine-1-carboxamide (PubChem CID 98430279) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(2-cyclopropylpyrimidin-5-yl)-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylpyrimidin-5-yl)-4-phenylpiperazine-1-carboxamide
PubChem CID98430279
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-(2-cyclopropylpyrimidin-5-yl)-4-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1cnc(C2CC2)nc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H21N5O/c24-18(21-15-12-19-17(20-13-15)14-6-7-14)23-10-8-22(9-11-23)16-4-2-1-3-5-16/h1-5,12-14H,6-11H2,(H,21,24)
InChIKeyHEMTWAZVGDUAHN-UHFFFAOYSA-N
XLogP2.71
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclobutylpyrimidin-5-yl)-4-(4-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 166286407
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
4-(6-cyclopropylpyridazin-3-yl)-N-phenylpiperazine-1-carboxamide
CID 122279690
1-[(2-phenylpyrimidin-5-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122076993
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide
CID 122299328
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
N-(2-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108871577
N-[4-[(2S)-butan-2-yl]phenyl]-4-phenylpiperazine-1-carboxamide
CID 40635402
N-phenyl-4-pyridin-3-yl-1,4-diazepane-1-carboxamide
CID 118068179
N-phenyl-3-(4-phenylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140121
4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 59676624

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpyrimidin-5-yl)-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(2-cyclopropylpyrimidin-5-yl)-4-phenylpiperazine-1-carboxamide (CID 98430279) is N-(2-cyclopropylpyrimidin-5-yl)-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-cyclopropylpyrimidin-5-yl)-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-cyclopropylpyrimidin-5-yl)-4-phenylpiperazine-1-carboxamide is O=C(Nc1cnc(C2CC2)nc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(2-cyclopropylpyrimidin-5-yl)-4-phenylpiperazine-1-carboxamide?
The InChIKey is HEMTWAZVGDUAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c24-18(21-15-12-19-17(20-13-15)14-6-7-14)23-10-8-22(9-11-23)16-4-2-1-3-5-16/h1-5,12-14H,6-11H2,(H,21,24).
What are the key properties of N-(2-cyclopropylpyrimidin-5-yl)-4-phenylpiperazine-1-carboxamide?
N-(2-cyclopropylpyrimidin-5-yl)-4-phenylpiperazine-1-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpyrimidin-5-yl)-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 98430279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).