(2R)-4-[3-(3-methylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazine-2-carboxamide

C20H27N5O2 — CID 124997614

IUPAC(2R)-4-[3-(3-methylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazine-2-carboxamide
SMILESCc1ccn(CCC(=O)N2CCN(CCc3ccccc3)[C@@H](C(N)=O)C2)n1
InChIInChI=1S/C20H27N5O2/c1-16-7-11-25(22-16)12-9-19(26)24-14-13-23(18(15-24)20(21)27)10-8-17-5-3-2-4-6-17/h2-7,11,18H,8-10,12-15H2,1H3,(H2,21,27)/t18-/m1/s1
InChIKeyRBPFNBLCMQKOMY-GOSISDBHSA-N
MW369.47 g/mol
LogP0.82
Rot. Bonds7

About (2R)-4-[3-(3-methylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazine-2-carboxamide

(2R)-4-[3-(3-methylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazine-2-carboxamide (PubChem CID 124997614) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (2R)-4-[3-(3-methylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[3-(3-methylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazine-2-carboxamide
PubChem CID124997614
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name(2R)-4-[3-(3-methylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazine-2-carboxamide
SMILESCc1ccn(CCC(=O)N2CCN(CCc3ccccc3)[C@@H](C(N)=O)C2)n1
InChIInChI=1S/C20H27N5O2/c1-16-7-11-25(22-16)12-9-19(26)24-14-13-23(18(15-24)20(21)27)10-8-17-5-3-2-4-6-17/h2-7,11,18H,8-10,12-15H2,1H3,(H2,21,27)/t18-/m1/s1
InChIKeyRBPFNBLCMQKOMY-GOSISDBHSA-N
XLogP0.82
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124956948
(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124956947
4-(1-methyl-6-oxopyridazine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 175658274
(2S)-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 125020064
(2S)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 125004065
(2S)-4-(1-methyl-6-oxopyridine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124953550
4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110086526
1-(4-benzylpiperidin-1-yl)-3-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]propan-1-one
CID 42567654
1-[3-(3-methylpyrazol-1-yl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide
CID 175661500
1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide
CID 110086044
(6R)-1-acetyl-N-methyl-4-[3-(3-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide
CID 124991942
1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide
CID 110086456

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[3-(3-methylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-4-[3-(3-methylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazine-2-carboxamide (CID 124997614) is (2R)-4-[3-(3-methylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-[3-(3-methylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-4-[3-(3-methylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazine-2-carboxamide is Cc1ccn(CCC(=O)N2CCN(CCc3ccccc3)[C@@H](C(N)=O)C2)n1.
What is the InChIKey of (2R)-4-[3-(3-methylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazine-2-carboxamide?
The InChIKey is RBPFNBLCMQKOMY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-16-7-11-25(22-16)12-9-19(26)24-14-13-23(18(15-24)20(21)27)10-8-17-5-3-2-4-6-17/h2-7,11,18H,8-10,12-15H2,1H3,(H2,21,27)/t18-/m1/s1.
What are the key properties of (2R)-4-[3-(3-methylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazine-2-carboxamide?
(2R)-4-[3-(3-methylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazine-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[3-(3-methylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 124997614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).