4-(2-phenylethyl)-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide

C20H32N4O — CID 125445404

IUPAC4-(2-phenylethyl)-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide
SMILESC[C@@H](CN1CCCC1)NC(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H32N4O/c1-18(17-23-10-5-6-11-23)21-20(25)24-15-13-22(14-16-24)12-9-19-7-3-2-4-8-19/h2-4,7-8,18H,5-6,9-17H2,1H3,(H,21,25)/t18-/m0/s1
InChIKeyWKZSHUPOBDXFSV-SFHVURJKSA-N
MW344.50 g/mol
LogP2.04
Rot. Bonds6

About 4-(2-phenylethyl)-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide

4-(2-phenylethyl)-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide (PubChem CID 125445404) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-(2-phenylethyl)-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-phenylethyl)-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide
PubChem CID125445404
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name4-(2-phenylethyl)-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide
SMILESC[C@@H](CN1CCCC1)NC(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H32N4O/c1-18(17-23-10-5-6-11-23)21-20(25)24-15-13-22(14-16-24)12-9-19-7-3-2-4-8-19/h2-4,7-8,18H,5-6,9-17H2,1H3,(H,21,25)/t18-/m0/s1
InChIKeyWKZSHUPOBDXFSV-SFHVURJKSA-N
XLogP2.04
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115590525
N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]morpholine-4-carboxamide
CID 110284593
N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
CID 115583840
N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115579823
4-hydroxy-N-(4-phenylbutan-2-yl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 122571241
(2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
CID 119838010
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 94120064
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide
CID 95267786
N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61221225
2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 43695355
1-[2-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 51281374

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-phenylethyl)-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide (CID 125445404) is 4-(2-phenylethyl)-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-phenylethyl)-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-phenylethyl)-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide is C[C@@H](CN1CCCC1)NC(=O)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 4-(2-phenylethyl)-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide?
The InChIKey is WKZSHUPOBDXFSV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H32N4O/c1-18(17-23-10-5-6-11-23)21-20(25)24-15-13-22(14-16-24)12-9-19-7-3-2-4-8-19/h2-4,7-8,18H,5-6,9-17H2,1H3,(H,21,25)/t18-/m0/s1.
What are the key properties of 4-(2-phenylethyl)-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide?
4-(2-phenylethyl)-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 125445404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).