(4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone

C21H33N3O — CID 795735

IUPAC(4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone
SMILESCCN1CCN(C(=O)C2CCN(C[C@H](C)c3ccccc3)CC2)CC1
InChIInChI=1S/C21H33N3O/c1-3-22-13-15-24(16-14-22)21(25)20-9-11-23(12-10-20)17-18(2)19-7-5-4-6-8-19/h4-8,18,20H,3,9-17H2,1-2H3/t18-/m0/s1
InChIKeyCIGSFBVXRXZULC-SFHVURJKSA-N
MW343.51 g/mol
LogP2.67
Rot. Bonds5

About (4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone

(4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone (PubChem CID 795735) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone
PubChem CID795735
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name(4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone
SMILESCCN1CCN(C(=O)C2CCN(C[C@H](C)c3ccccc3)CC2)CC1
InChIInChI=1S/C21H33N3O/c1-3-22-13-15-24(16-14-22)21(25)20-9-11-23(12-10-20)17-18(2)19-7-5-4-6-8-19/h4-8,18,20H,3,9-17H2,1-2H3/t18-/m0/s1
InChIKeyCIGSFBVXRXZULC-SFHVURJKSA-N
XLogP2.67
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone with MolForge

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Related Compounds

[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883905
(4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone
CID 3781399
(3R)-1-[(2S)-2-phenylpropyl]pyrrolidine-3-carboxylic acid
CID 129413679
N-benzyl-4-(4-ethylpiperazine-1-carbonyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 109147520
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 17223445
4-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 109147545
N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147543
cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone
CID 43434778
[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone;oxalic acid
CID 126469034
1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 95629246
(4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 163328426
2-[1-(2-phenylpropyl)piperidin-4-yl]oxyacetic acid
CID 65066046

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone (CID 795735) is (4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone is CCN1CCN(C(=O)C2CCN(C[C@H](C)c3ccccc3)CC2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone?
The InChIKey is CIGSFBVXRXZULC-SFHVURJKSA-N. The full InChI is InChI=1S/C21H33N3O/c1-3-22-13-15-24(16-14-22)21(25)20-9-11-23(12-10-20)17-18(2)19-7-5-4-6-8-19/h4-8,18,20H,3,9-17H2,1-2H3/t18-/m0/s1.
What are the key properties of (4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone?
(4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone has a molecular weight of 343.51 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone is sourced from PubChem (CID 795735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).