N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]cyclobutanecarboxamide

C18H27N3O — CID 33403212

IUPACN-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]cyclobutanecarboxamide
SMILESCN1CCN(CCNC(=O)C2CCC2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H27N3O/c1-20-12-13-21(11-10-19-18(22)16-8-5-9-16)17(14-20)15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3,(H,19,22)/t17-/m1/s1
InChIKeyFAJXAKCURBXTSQ-QGZVFWFLSA-N
MW301.43 g/mol
LogP1.89
Rot. Bonds5

About N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]cyclobutanecarboxamide

N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]cyclobutanecarboxamide (PubChem CID 33403212) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]cyclobutanecarboxamide
PubChem CID33403212
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]cyclobutanecarboxamide
SMILESCN1CCN(CCNC(=O)C2CCC2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H27N3O/c1-20-12-13-21(11-10-19-18(22)16-8-5-9-16)17(14-20)15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3,(H,19,22)/t17-/m1/s1
InChIKeyFAJXAKCURBXTSQ-QGZVFWFLSA-N
XLogP1.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51726909
5-acetyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 42958850
2-methyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide
CID 47028501
5-chloro-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 51964590
1-(3-chlorophenyl)-3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]urea
CID 43063800
(2R)-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 124810432
methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate
CID 43377701
5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
CID 62227844
N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide
CID 37295921
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
(2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide
CID 124813932
3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one
CID 43229060

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]cyclobutanecarboxamide (CID 33403212) is N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]cyclobutanecarboxamide is CN1CCN(CCNC(=O)C2CCC2)[C@@H](c2ccccc2)C1.
What is the InChIKey of N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]cyclobutanecarboxamide?
The InChIKey is FAJXAKCURBXTSQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27N3O/c1-20-12-13-21(11-10-19-18(22)16-8-5-9-16)17(14-20)15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3,(H,19,22)/t17-/m1/s1.
What are the key properties of N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]cyclobutanecarboxamide?
N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]cyclobutanecarboxamide has a molecular weight of 301.43 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 33403212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).