N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

C19H22FN5O2 — CID 75512190

IUPACN-[2-(cyclopropylmethoxy)-4-fluorophenyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1OCC1CC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H22FN5O2/c20-15-4-5-16(17(12-15)27-13-14-2-3-14)23-19(26)25-10-8-24(9-11-25)18-21-6-1-7-22-18/h1,4-7,12,14H,2-3,8-11,13H2,(H,23,26)
InChIKeyPWQUVTFOVSDOOJ-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.76
Rot. Bonds5

About N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 75512190) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)-4-fluorophenyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID75512190
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC NameN-[2-(cyclopropylmethoxy)-4-fluorophenyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1OCC1CC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H22FN5O2/c20-15-4-5-16(17(12-15)27-13-14-2-3-14)23-19(26)25-10-8-24(9-11-25)18-21-6-1-7-22-18/h1,4-7,12,14H,2-3,8-11,13H2,(H,23,26)
InChIKeyPWQUVTFOVSDOOJ-UHFFFAOYSA-N
XLogP2.76
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-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

1-[[2-(cyclopropylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122085447
N-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86988601
(3S)-N-(2-ethoxy-4-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431407
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 75397395
1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122076630
(8aS)-N-[2-(cyclopropylmethoxy)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 164642524
N-[2-(cyclopropylmethoxy)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111453701
N-(4-fluoro-2-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 47024487
N-[2-(cyclopropylmethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111453726
N-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27532293
3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxyethyl)-1-methylurea
CID 111453687
(2S)-N-(2-ethoxy-4-fluorophenyl)-2-methylmorpholine-4-carboxamide
CID 94148395

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 75512190) is N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is O=C(Nc1ccc(F)cc1OCC1CC1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is PWQUVTFOVSDOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c20-15-4-5-16(17(12-15)27-13-14-2-3-14)23-19(26)25-10-8-24(9-11-25)18-21-6-1-7-22-18/h1,4-7,12,14H,2-3,8-11,13H2,(H,23,26).
What are the key properties of N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 75512190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).