2-cyclopropyl-N'-[6-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]acetohydrazide

C20H25N5O — CID 118108072

IUPAC2-cyclopropyl-N'-[6-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]acetohydrazide
SMILESO=C(CC1CC1)NNc1cc(N2CCC(c3ccccc3)CC2)ncn1
InChIInChI=1S/C20H25N5O/c26-20(12-15-6-7-15)24-23-18-13-19(22-14-21-18)25-10-8-17(9-11-25)16-4-2-1-3-5-16/h1-5,13-15,17H,6-12H2,(H,24,26)(H,21,22,23)
InChIKeyTYHNGKGYTCKVCO-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.10
Rot. Bonds6

About 2-cyclopropyl-N'-[6-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]acetohydrazide

2-cyclopropyl-N'-[6-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]acetohydrazide (PubChem CID 118108072) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-cyclopropyl-N'-[6-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]acetohydrazide.

Molecular Properties

Compound Name2-cyclopropyl-N'-[6-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]acetohydrazide
PubChem CID118108072
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-cyclopropyl-N'-[6-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]acetohydrazide
SMILESO=C(CC1CC1)NNc1cc(N2CCC(c3ccccc3)CC2)ncn1
InChIInChI=1S/C20H25N5O/c26-20(12-15-6-7-15)24-23-18-13-19(22-14-21-18)25-10-8-17(9-11-25)16-4-2-1-3-5-16/h1-5,13-15,17H,6-12H2,(H,24,26)(H,21,22,23)
InChIKeyTYHNGKGYTCKVCO-UHFFFAOYSA-N
XLogP3.10
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-N'-[6-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]pyrimidin-4-yl]acetohydrazide
CID 118108163
2-cyclopropyl-N'-[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]acetohydrazide
CID 118108239
N-ethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80822469
2-cyclohexyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90543700
1-[6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192699
2-cyclopropyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327986
1-[1-[6-(benzylamino)pyrimidin-4-yl]piperidin-4-yl]-2,2,2-trifluoroethanone
CID 166248370
N-(cyclopropylmethyl)-6-(4-phenoxypiperidin-1-yl)pyrimidin-4-amine
CID 126813706
[1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80755881
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide
CID 90545933
4-(4-phenylpiperidin-1-yl)-1,3-thiazole
CID 175743115
N-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109346670

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N'-[6-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]acetohydrazide?
The IUPAC name of 2-cyclopropyl-N'-[6-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]acetohydrazide (CID 118108072) is 2-cyclopropyl-N'-[6-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]acetohydrazide.
What is the SMILES notation for 2-cyclopropyl-N'-[6-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]acetohydrazide?
The canonical SMILES for 2-cyclopropyl-N'-[6-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]acetohydrazide is O=C(CC1CC1)NNc1cc(N2CCC(c3ccccc3)CC2)ncn1.
What is the InChIKey of 2-cyclopropyl-N'-[6-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]acetohydrazide?
The InChIKey is TYHNGKGYTCKVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c26-20(12-15-6-7-15)24-23-18-13-19(22-14-21-18)25-10-8-17(9-11-25)16-4-2-1-3-5-16/h1-5,13-15,17H,6-12H2,(H,24,26)(H,21,22,23).
What are the key properties of 2-cyclopropyl-N'-[6-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]acetohydrazide?
2-cyclopropyl-N'-[6-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]acetohydrazide has a molecular weight of 351.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N'-[6-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]acetohydrazide is sourced from PubChem (CID 118108072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).