(2S)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide

C14H21N3O — CID 95804018

IUPAC(2S)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1
InChIInChI=1S/C14H21N3O/c1-15-14(18)13-11-17(10-8-16-13)9-7-12-5-3-2-4-6-12/h2-6,13,16H,7-11H2,1H3,(H,15,18)/t13-/m0/s1
InChIKeyKZZKZJMGUULACR-ZDUSSCGKSA-N
MW247.34 g/mol
LogP0.25
Rot. Bonds4

About (2S)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide

(2S)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide (PubChem CID 95804018) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2S)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
PubChem CID95804018
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2S)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1
InChIInChI=1S/C14H21N3O/c1-15-14(18)13-11-17(10-8-16-13)9-7-12-5-3-2-4-6-12/h2-6,13,16H,7-11H2,1H3,(H,15,18)/t13-/m0/s1
InChIKeyKZZKZJMGUULACR-ZDUSSCGKSA-N
XLogP0.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-methyl-1-(2-phenylethyl)piperazine
CID 95243884
1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 110086145
3-benzyl-1-(2-phenylethyl)piperazine
CID 64832904
(2S)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081520
N-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]acetamide
CID 61212881
N-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175657649
1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 91557912
N,4-dimethyl-N-(2-phenylethyl)piperazine-2-carboxamide
CID 115178084
(2S)-1-(1-benzyl-4-methylpiperidine-4-carbonyl)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124979390
(2S)-4-benzyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide
CID 70975232
N-[1-(2-phenylethyl)piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride
CID 119844550
1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid
CID 115918716

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide (CID 95804018) is (2S)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide is CNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1.
What is the InChIKey of (2S)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide?
The InChIKey is KZZKZJMGUULACR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N3O/c1-15-14(18)13-11-17(10-8-16-13)9-7-12-5-3-2-4-6-12/h2-6,13,16H,7-11H2,1H3,(H,15,18)/t13-/m0/s1.
What are the key properties of (2S)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide?
(2S)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 95804018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).