methyl N-[1-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]carbamate

C23H32N4O5 — CID 46038431

IUPACmethyl N-[1-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(c2ccccc2C(=O)N2CCN(C(=O)C3CCCO3)CC2)CC1
InChIInChI=1S/C23H32N4O5/c1-31-23(30)24-17-8-10-25(11-9-17)19-6-3-2-5-18(19)21(28)26-12-14-27(15-13-26)22(29)20-7-4-16-32-20/h2-3,5-6,17,20H,4,7-16H2,1H3,(H,24,30)
InChIKeyQBKPJTFFZIGUSY-UHFFFAOYSA-N
MW444.53 g/mol
LogP1.47
Rot. Bonds4

About methyl N-[1-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]carbamate

methyl N-[1-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]carbamate (PubChem CID 46038431) has the molecular formula C23H32N4O5 and a molecular weight of 444.53 g/mol. Its IUPAC name is methyl N-[1-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]carbamate
PubChem CID46038431
Molecular FormulaC23H32N4O5
Molecular Weight444.53 g/mol
Exact Mass444.24
IUPAC Namemethyl N-[1-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(c2ccccc2C(=O)N2CCN(C(=O)C3CCCO3)CC2)CC1
InChIInChI=1S/C23H32N4O5/c1-31-23(30)24-17-8-10-25(11-9-17)19-6-3-2-5-18(19)21(28)26-12-14-27(15-13-26)22(29)20-7-4-16-32-20/h2-3,5-6,17,20H,4,7-16H2,1H3,(H,24,30)
InChIKeyQBKPJTFFZIGUSY-UHFFFAOYSA-N
XLogP1.47
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl N-[1-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]carbamate with MolForge

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Related Compounds

[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 27233042
[4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51183590
2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819750
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583
N-[1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-methoxybenzamide
CID 46038397
N-[1-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]acetamide
CID 42848348
methyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate
CID 108565841
(2S)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 27151651
2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038031
1-ethyl-3-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]urea
CID 46038614
[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51144884
(E)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3-phenylprop-2-enamide
CID 108566021

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]carbamate?
The IUPAC name of methyl N-[1-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]carbamate (CID 46038431) is methyl N-[1-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]carbamate?
The canonical SMILES for methyl N-[1-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]carbamate is COC(=O)NC1CCN(c2ccccc2C(=O)N2CCN(C(=O)C3CCCO3)CC2)CC1.
What is the InChIKey of methyl N-[1-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]carbamate?
The InChIKey is QBKPJTFFZIGUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5/c1-31-23(30)24-17-8-10-25(11-9-17)19-6-3-2-5-18(19)21(28)26-12-14-27(15-13-26)22(29)20-7-4-16-32-20/h2-3,5-6,17,20H,4,7-16H2,1H3,(H,24,30).
What are the key properties of methyl N-[1-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]carbamate?
methyl N-[1-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]carbamate has a molecular weight of 444.53 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 46038431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).