N-[1-(2-chlorophenyl)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

C18H22ClN5O — CID 110675424

IUPACN-[1-(2-chlorophenyl)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCC(Cc1ccccc1Cl)NC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H22ClN5O/c1-14(13-15-5-2-3-6-16(15)19)22-18(25)24-11-9-23(10-12-24)17-20-7-4-8-21-17/h2-8,14H,9-13H2,1H3,(H,22,25)
InChIKeyDFSMULMTZCTZBZ-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.59
Rot. Bonds4

About N-[1-(2-chlorophenyl)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-[1-(2-chlorophenyl)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 110675424) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID110675424
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC NameN-[1-(2-chlorophenyl)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCC(Cc1ccccc1Cl)NC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H22ClN5O/c1-14(13-15-5-2-3-6-16(15)19)22-18(25)24-11-9-23(10-12-24)17-20-7-4-8-21-17/h2-8,14H,9-13H2,1H3,(H,22,25)
InChIKeyDFSMULMTZCTZBZ-UHFFFAOYSA-N
XLogP2.59
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[1-(2-chlorophenyl)propan-2-yl]piperazine-1-carboxamide
CID 110675407
N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 110675397
N-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 47015071
ethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate
CID 110675422
N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide
CID 110675399
N-[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 96564094
N-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 71691785
N-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 110675417
N-[(1R)-1-(4-chlorophenyl)-2-methylpropyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 41287206
N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 94618620
(2-chlorophenyl)methyl-methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium
CID 8542124
N-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 97267692

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 110675424) is N-[1-(2-chlorophenyl)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is CC(Cc1ccccc1Cl)NC(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[1-(2-chlorophenyl)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is DFSMULMTZCTZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O/c1-14(13-15-5-2-3-6-16(15)19)22-18(25)24-11-9-23(10-12-24)17-20-7-4-8-21-17/h2-8,14H,9-13H2,1H3,(H,22,25).
What are the key properties of N-[1-(2-chlorophenyl)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-[1-(2-chlorophenyl)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 110675424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).