N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(dimethylamino)-2-phenylacetamide

C24H34N4O — CID 110624489

IUPACN-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(dimethylamino)-2-phenylacetamide
SMILESCC(CN1CCN(Cc2ccccc2)CC1)NC(=O)C(c1ccccc1)N(C)C
InChIInChI=1S/C24H34N4O/c1-20(25-24(29)23(26(2)3)22-12-8-5-9-13-22)18-27-14-16-28(17-15-27)19-21-10-6-4-7-11-21/h4-13,20,23H,14-19H2,1-3H3,(H,25,29)
InChIKeyUBOZADSQCNVJTM-UHFFFAOYSA-N
MW394.56 g/mol
LogP2.61
Rot. Bonds8

About N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(dimethylamino)-2-phenylacetamide

N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(dimethylamino)-2-phenylacetamide (PubChem CID 110624489) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(dimethylamino)-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(dimethylamino)-2-phenylacetamide
PubChem CID110624489
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC NameN-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(dimethylamino)-2-phenylacetamide
SMILESCC(CN1CCN(Cc2ccccc2)CC1)NC(=O)C(c1ccccc1)N(C)C
InChIInChI=1S/C24H34N4O/c1-20(25-24(29)23(26(2)3)22-12-8-5-9-13-22)18-27-14-16-28(17-15-27)19-21-10-6-4-7-11-21/h4-13,20,23H,14-19H2,1-3H3,(H,25,29)
InChIKeyUBOZADSQCNVJTM-UHFFFAOYSA-N
XLogP2.61
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbutanamide
CID 110624490
N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]morpholine-4-carboxamide
CID 110284593
(2R)-2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 52522894
2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 51127553
2-(dimethylamino)-2-phenyl-N-(1-phenylethyl)acetamide
CID 47839311
N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide
CID 110284554
N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110624494
1-(4-benzylpiperazin-1-yl)-2-(dimethylamino)-2-pyridin-3-ylethanone
CID 110753929
1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one
CID 71304914
2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 43695355
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide
CID 110285473

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(dimethylamino)-2-phenylacetamide?
The IUPAC name of N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(dimethylamino)-2-phenylacetamide (CID 110624489) is N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(dimethylamino)-2-phenylacetamide.
What is the SMILES notation for N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(dimethylamino)-2-phenylacetamide?
The canonical SMILES for N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(dimethylamino)-2-phenylacetamide is CC(CN1CCN(Cc2ccccc2)CC1)NC(=O)C(c1ccccc1)N(C)C.
What is the InChIKey of N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(dimethylamino)-2-phenylacetamide?
The InChIKey is UBOZADSQCNVJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-20(25-24(29)23(26(2)3)22-12-8-5-9-13-22)18-27-14-16-28(17-15-27)19-21-10-6-4-7-11-21/h4-13,20,23H,14-19H2,1-3H3,(H,25,29).
What are the key properties of N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(dimethylamino)-2-phenylacetamide?
N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(dimethylamino)-2-phenylacetamide has a molecular weight of 394.56 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(dimethylamino)-2-phenylacetamide is sourced from PubChem (CID 110624489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).