N-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide

C19H25N5O — CID 47015071

IUPACN-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H25N5O/c1-16(8-9-17-6-3-2-4-7-17)22-19(25)24-14-12-23(13-15-24)18-20-10-5-11-21-18/h2-7,10-11,16H,8-9,12-15H2,1H3,(H,22,25)
InChIKeyIEDYTBDVNWUYLB-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.33
Rot. Bonds5

About N-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 47015071) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID47015071
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H25N5O/c1-16(8-9-17-6-3-2-4-7-17)22-19(25)24-14-12-23(13-15-24)18-20-10-5-11-21-18/h2-7,10-11,16H,8-9,12-15H2,1H3,(H,22,25)
InChIKeyIEDYTBDVNWUYLB-UHFFFAOYSA-N
XLogP2.33
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-chlorophenyl)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 110675424
N-[(2R)-4-phenylbutan-2-yl]-3-pyridin-2-ylazetidine-1-carboxamide
CID 125447718
N-(2-phenylethyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 119074881
2-(3-phenylpropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 109004865
N-[(2R)-1-[2-(3-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 96563957
1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
3-(2-phenylethylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109024262
N-[(2S)-1-[(3-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 71964479
4-(2-chlorophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide
CID 25490786
N-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 71691785
N-[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 96564094
4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-1-carboxamide
CID 125442891

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 47015071) is N-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is CC(CCc1ccccc1)NC(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is IEDYTBDVNWUYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-16(8-9-17-6-3-2-4-7-17)22-19(25)24-14-12-23(13-15-24)18-20-10-5-11-21-18/h2-7,10-11,16H,8-9,12-15H2,1H3,(H,22,25).
What are the key properties of N-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 47015071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).