N-benzyl-3-ethyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pentanamide

C23H35N3O3 — CID 53384000

IUPACN-benzyl-3-ethyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pentanamide
SMILESCCC(CC)C(C(=O)NCc1ccccc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C23H35N3O3/c1-3-19(4-2)21(22(27)24-17-18-9-6-5-7-10-18)25-12-14-26(15-13-25)23(28)20-11-8-16-29-20/h5-7,9-10,19-21H,3-4,8,11-17H2,1-2H3,(H,24,27)
InChIKeyBRBNGQIMJGZPRQ-UHFFFAOYSA-N
MW401.55 g/mol
LogP2.43
Rot. Bonds8

About N-benzyl-3-ethyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pentanamide

N-benzyl-3-ethyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pentanamide (PubChem CID 53384000) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is N-benzyl-3-ethyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pentanamide.

Molecular Properties

Compound NameN-benzyl-3-ethyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pentanamide
PubChem CID53384000
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC NameN-benzyl-3-ethyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pentanamide
SMILESCCC(CC)C(C(=O)NCc1ccccc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C23H35N3O3/c1-3-19(4-2)21(22(27)24-17-18-9-6-5-7-10-18)25-12-14-26(15-13-25)23(28)20-11-8-16-29-20/h5-7,9-10,19-21H,3-4,8,11-17H2,1-2H3,(H,24,27)
InChIKeyBRBNGQIMJGZPRQ-UHFFFAOYSA-N
XLogP2.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylpropyl)oxolane-2-carboxamide
CID 6467126
(4-Benzhydrylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 3860526
(S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)-2-(tert-butoxycarbonylamino)-5-oxopentanoate
CID 44550606
CID 10395171
CID 10395171
N-(4-Methyl-benzyl)-N'-(tetrahydro-furan-2-ylmethyl)-oxalamide
CID 2891290
1-(4-methylbenzyl)-N-(3-morpholin-4-ylpropyl)-5-oxoprolinamide
CID 3236574
N-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2883263
N-[1-(4-ethylphenyl)ethyl]tetrahydro-2-furancarboxamide
CID 6464227
N-[1-(4-butan-2-ylphenyl)propyl]oxolane-2-carboxamide
CID 6464301
N-benzyl-2-(2,6-dimethyl-4-morpholinyl)acetamide
CID 6467807
2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylethyl)acetamide
CID 6469831
N-(1-phenylethyl)tetrahydro-2-furancarboxamide
CID 2931490

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-ethyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pentanamide?
The IUPAC name of N-benzyl-3-ethyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pentanamide (CID 53384000) is N-benzyl-3-ethyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pentanamide.
What is the SMILES notation for N-benzyl-3-ethyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pentanamide?
The canonical SMILES for N-benzyl-3-ethyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pentanamide is CCC(CC)C(C(=O)NCc1ccccc1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of N-benzyl-3-ethyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pentanamide?
The InChIKey is BRBNGQIMJGZPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-3-19(4-2)21(22(27)24-17-18-9-6-5-7-10-18)25-12-14-26(15-13-25)23(28)20-11-8-16-29-20/h5-7,9-10,19-21H,3-4,8,11-17H2,1-2H3,(H,24,27).
What are the key properties of N-benzyl-3-ethyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pentanamide?
N-benzyl-3-ethyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pentanamide has a molecular weight of 401.55 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-ethyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pentanamide is sourced from PubChem (CID 53384000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).