N-[4-[benzyl(methyl)amino]phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

C24H30N4O3 — CID 60543369

IUPACN-[4-[benzyl(methyl)amino]phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESCN(Cc1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C24H30N4O3/c1-26(18-19-6-3-2-4-7-19)21-11-9-20(10-12-21)25-24(30)28-15-13-27(14-16-28)23(29)22-8-5-17-31-22/h2-4,6-7,9-12,22H,5,8,13-18H2,1H3,(H,25,30)
InChIKeyDWAYIOLFXLVFLQ-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.18
Rot. Bonds5

About N-[4-[benzyl(methyl)amino]phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

N-[4-[benzyl(methyl)amino]phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (PubChem CID 60543369) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)amino]phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)amino]phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
PubChem CID60543369
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-[4-[benzyl(methyl)amino]phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESCN(Cc1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C24H30N4O3/c1-26(18-19-6-3-2-4-7-19)21-11-9-20(10-12-21)25-24(30)28-15-13-27(14-16-28)23(29)22-8-5-17-31-22/h2-4,6-7,9-12,22H,5,8,13-18H2,1H3,(H,25,30)
InChIKeyDWAYIOLFXLVFLQ-UHFFFAOYSA-N
XLogP3.18
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide
CID 112982284
4-(oxolane-2-carbonyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperazine-1-carboxamide
CID 60591485
N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 51944792
N-(3-chloro-4-methylphenyl)-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 2476720
N-(4-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide
CID 97247477
N-[6-(diethylamino)-3-pyridinyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 94168439
N-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 94168440
oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone
CID 110399555
N-(1,3-benzodioxol-5-yl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 970148
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 47032814
N-ethyl-N'-[3-(N-methylanilino)propyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111300477
N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113008099

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)amino]phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[4-[benzyl(methyl)amino]phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (CID 60543369) is N-[4-[benzyl(methyl)amino]phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[4-[benzyl(methyl)amino]phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[4-[benzyl(methyl)amino]phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is CN(Cc1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1.
What is the InChIKey of N-[4-[benzyl(methyl)amino]phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is DWAYIOLFXLVFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-26(18-19-6-3-2-4-7-19)21-11-9-20(10-12-21)25-24(30)28-15-13-27(14-16-28)23(29)22-8-5-17-31-22/h2-4,6-7,9-12,22H,5,8,13-18H2,1H3,(H,25,30).
What are the key properties of N-[4-[benzyl(methyl)amino]phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
N-[4-[benzyl(methyl)amino]phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)amino]phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 60543369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).