N-[(2S)-2-methoxypropyl]-4-(4-phenylpyrimidin-2-yl)piperazine-1-carboxamide

C19H25N5O2 — CID 125448423

IUPACN-[(2S)-2-methoxypropyl]-4-(4-phenylpyrimidin-2-yl)piperazine-1-carboxamide
SMILESCO[C@@H](C)CNC(=O)N1CCN(c2nccc(-c3ccccc3)n2)CC1
InChIInChI=1S/C19H25N5O2/c1-15(26-2)14-21-19(25)24-12-10-23(11-13-24)18-20-9-8-17(22-18)16-6-4-3-5-7-16/h3-9,15H,10-14H2,1-2H3,(H,21,25)/t15-/m0/s1
InChIKeyDRLSYECAPIUOKV-HNNXBMFYSA-N
MW355.44 g/mol
LogP2.01
Rot. Bonds5

About N-[(2S)-2-methoxypropyl]-4-(4-phenylpyrimidin-2-yl)piperazine-1-carboxamide

N-[(2S)-2-methoxypropyl]-4-(4-phenylpyrimidin-2-yl)piperazine-1-carboxamide (PubChem CID 125448423) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(2S)-2-methoxypropyl]-4-(4-phenylpyrimidin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-methoxypropyl]-4-(4-phenylpyrimidin-2-yl)piperazine-1-carboxamide
PubChem CID125448423
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[(2S)-2-methoxypropyl]-4-(4-phenylpyrimidin-2-yl)piperazine-1-carboxamide
SMILESCO[C@@H](C)CNC(=O)N1CCN(c2nccc(-c3ccccc3)n2)CC1
InChIInChI=1S/C19H25N5O2/c1-15(26-2)14-21-19(25)24-12-10-23(11-13-24)18-20-9-8-17(22-18)16-6-4-3-5-7-16/h3-9,15H,10-14H2,1-2H3,(H,21,25)/t15-/m0/s1
InChIKeyDRLSYECAPIUOKV-HNNXBMFYSA-N
XLogP2.01
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-[4-(4-phenylpyrimidin-2-yl)piperazine-1-carbonyl]pyridin-2-one
CID 77090822
methyl 3-[4-[4-(4-ethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]-3-oxopropanoate
CID 46081694
2-(1-methylpiperidin-2-yl)-1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 77089142
1-[4-[4-(4-tert-butylphenyl)pyrimidin-2-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 46081665
1-[4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]hexan-1-one
CID 46082185
1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]-2-pyrrolidin-3-ylethanone
CID 74239749
methyl 4-[2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]benzoate
CID 178034947
ethyl 4-oxo-4-[4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]butanoate
CID 46081743
N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27516864
N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 18532694
3-[[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]amino]propanoic acid
CID 122017762
[(2R)-morpholin-2-yl]-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 125178265

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methoxypropyl]-4-(4-phenylpyrimidin-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(2S)-2-methoxypropyl]-4-(4-phenylpyrimidin-2-yl)piperazine-1-carboxamide (CID 125448423) is N-[(2S)-2-methoxypropyl]-4-(4-phenylpyrimidin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2S)-2-methoxypropyl]-4-(4-phenylpyrimidin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2S)-2-methoxypropyl]-4-(4-phenylpyrimidin-2-yl)piperazine-1-carboxamide is CO[C@@H](C)CNC(=O)N1CCN(c2nccc(-c3ccccc3)n2)CC1.
What is the InChIKey of N-[(2S)-2-methoxypropyl]-4-(4-phenylpyrimidin-2-yl)piperazine-1-carboxamide?
The InChIKey is DRLSYECAPIUOKV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-15(26-2)14-21-19(25)24-12-10-23(11-13-24)18-20-9-8-17(22-18)16-6-4-3-5-7-16/h3-9,15H,10-14H2,1-2H3,(H,21,25)/t15-/m0/s1.
What are the key properties of N-[(2S)-2-methoxypropyl]-4-(4-phenylpyrimidin-2-yl)piperazine-1-carboxamide?
N-[(2S)-2-methoxypropyl]-4-(4-phenylpyrimidin-2-yl)piperazine-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methoxypropyl]-4-(4-phenylpyrimidin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 125448423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).