N-[1-cyclopentyl-2-oxo-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]acetamide

C23H29N5O2 — CID 56537176

IUPACN-[1-cyclopentyl-2-oxo-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NC(C(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1)C1CCCC1
InChIInChI=1S/C23H29N5O2/c1-17(29)25-21(18-7-5-6-8-18)23(30)28-15-13-27(14-16-28)20-11-12-24-22(26-20)19-9-3-2-4-10-19/h2-4,9-12,18,21H,5-8,13-16H2,1H3,(H,25,29)
InChIKeyKUJCVXOPQMSSCK-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.49
Rot. Bonds5

About N-[1-cyclopentyl-2-oxo-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]acetamide

N-[1-cyclopentyl-2-oxo-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]acetamide (PubChem CID 56537176) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[1-cyclopentyl-2-oxo-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-cyclopentyl-2-oxo-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]acetamide
PubChem CID56537176
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[1-cyclopentyl-2-oxo-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NC(C(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1)C1CCCC1
InChIInChI=1S/C23H29N5O2/c1-17(29)25-21(18-7-5-6-8-18)23(30)28-15-13-27(14-16-28)20-11-12-24-22(26-20)19-9-3-2-4-10-19/h2-4,9-12,18,21H,5-8,13-16H2,1H3,(H,25,29)
InChIKeyKUJCVXOPQMSSCK-UHFFFAOYSA-N
XLogP2.49
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-3-hydroxy-1-oxo-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]-2-methylpropanamide
CID 126803903
2-phenyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 56537149
[4-methylsulfanyl-1-oxo-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-2-yl]urea
CID 56537505
1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-2-propan-2-yloxyethanone
CID 75463330
cyclopropyl-[3-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 56537293
N-[1-cyclopentyl-2-oxo-2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]acetamide
CID 167912458
1-(2-acetamido-2-cyclopentylacetyl)-N-phenylpiperidine-4-carboxamide
CID 51272766
[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 56537224
2-(2-methylphenyl)sulfanyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56537337
N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071425
N-[1-cyclopentyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 55462491
1-ethyl-3-[2-methyl-1-oxo-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]urea
CID 75463875

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-2-oxo-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[1-cyclopentyl-2-oxo-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]acetamide (CID 56537176) is N-[1-cyclopentyl-2-oxo-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-cyclopentyl-2-oxo-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[1-cyclopentyl-2-oxo-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]acetamide is CC(=O)NC(C(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1)C1CCCC1.
What is the InChIKey of N-[1-cyclopentyl-2-oxo-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is KUJCVXOPQMSSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-17(29)25-21(18-7-5-6-8-18)23(30)28-15-13-27(14-16-28)20-11-12-24-22(26-20)19-9-3-2-4-10-19/h2-4,9-12,18,21H,5-8,13-16H2,1H3,(H,25,29).
What are the key properties of N-[1-cyclopentyl-2-oxo-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]acetamide?
N-[1-cyclopentyl-2-oxo-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 407.52 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-2-oxo-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 56537176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).