N-[5-chloro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]propanamide

C18H20ClN5O2 — CID 131913533

IUPACN-[5-chloro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H20ClN5O2/c1-2-16(25)22-15-12-13(19)4-5-14(15)17(26)23-8-10-24(11-9-23)18-20-6-3-7-21-18/h3-7,12H,2,8-11H2,1H3,(H,22,25)
InChIKeyLZBMLRXHMTZEOG-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.44
Rot. Bonds4

About N-[5-chloro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]propanamide

N-[5-chloro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]propanamide (PubChem CID 131913533) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[5-chloro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]propanamide
PubChem CID131913533
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC NameN-[5-chloro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H20ClN5O2/c1-2-16(25)22-15-12-13(19)4-5-14(15)17(26)23-8-10-24(11-9-23)18-20-6-3-7-21-18/h3-7,12H,2,8-11H2,1H3,(H,22,25)
InChIKeyLZBMLRXHMTZEOG-UHFFFAOYSA-N
XLogP2.44
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108950998
N-[5-chloro-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]phenyl]propanamide
CID 131910409
N-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide
CID 46375275
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide
CID 119283029
N-[5-chloro-2-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]phenyl]propanamide
CID 163315548
N-[5-chloro-2-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)phenyl]propanamide
CID 146044642
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283028
(2,4-diethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 6469090
N-(5-chloro-2-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 4782283
N-[5-chloro-2-[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]phenyl]propanamide
CID 133135233
N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 51164916
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 55727828

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]propanamide?
The IUPAC name of N-[5-chloro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]propanamide (CID 131913533) is N-[5-chloro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for N-[5-chloro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for N-[5-chloro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]propanamide is CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[5-chloro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]propanamide?
The InChIKey is LZBMLRXHMTZEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-2-16(25)22-15-12-13(19)4-5-14(15)17(26)23-8-10-24(11-9-23)18-20-6-3-7-21-18/h3-7,12H,2,8-11H2,1H3,(H,22,25).
What are the key properties of N-[5-chloro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]propanamide?
N-[5-chloro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]propanamide has a molecular weight of 373.84 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 131913533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).