N-[4-[(1R)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropanecarboxamide

C20H25N5O2 — CID 51590883

IUPACN-[4-[(1R)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc([C@@H](O)CN2CCN(c3ncccn3)CC2)cc1)C1CC1
InChIInChI=1S/C20H25N5O2/c26-18(15-4-6-17(7-5-15)23-19(27)16-2-3-16)14-24-10-12-25(13-11-24)20-21-8-1-9-22-20/h1,4-9,16,18,26H,2-3,10-14H2,(H,23,27)/t18-/m0/s1
InChIKeyNNWWCLVQWIDFDR-SFHVURJKSA-N
MW367.45 g/mol
LogP1.68
Rot. Bonds6

About N-[4-[(1R)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropanecarboxamide

N-[4-[(1R)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 51590883) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[4-[(1R)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropanecarboxamide
PubChem CID51590883
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[4-[(1R)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc([C@@H](O)CN2CCN(c3ncccn3)CC2)cc1)C1CC1
InChIInChI=1S/C20H25N5O2/c26-18(15-4-6-17(7-5-15)23-19(27)16-2-3-16)14-24-10-12-25(13-11-24)20-21-8-1-9-22-20/h1,4-9,16,18,26H,2-3,10-14H2,(H,23,27)/t18-/m0/s1
InChIKeyNNWWCLVQWIDFDR-SFHVURJKSA-N
XLogP1.68
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(1R)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropanecarboxamide with MolForge

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Related Compounds

1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 82215753
N-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149397
N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223112
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 55758856
N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223122
ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 171678844
(3S)-N-[4-[(2R)-butan-2-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7206249
1-[6-[(1S)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 51593609
N-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 133269972
1-bromo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 112561188
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6468098

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(1R)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropanecarboxamide (CID 51590883) is N-[4-[(1R)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(1R)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(1R)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc([C@@H](O)CN2CCN(c3ncccn3)CC2)cc1)C1CC1.
What is the InChIKey of N-[4-[(1R)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is NNWWCLVQWIDFDR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-18(15-4-6-17(7-5-15)23-19(27)16-2-3-16)14-24-10-12-25(13-11-24)20-21-8-1-9-22-20/h1,4-9,16,18,26H,2-3,10-14H2,(H,23,27)/t18-/m0/s1.
What are the key properties of N-[4-[(1R)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[(1R)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 51590883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).