[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate

C25H25N3O5 — CID 47012359

IUPAC[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate
SMILESCn1cccc1C(=O)NC(=O)COC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C25H25N3O5/c1-27-13-5-10-21(27)23(30)26-22(29)16-33-25(32)18-11-14-28(15-12-18)24(31)20-9-4-7-17-6-2-3-8-19(17)20/h2-10,13,18H,11-12,14-16H2,1H3,(H,26,29,30)
InChIKeyBPDDOVHNTINGDF-UHFFFAOYSA-N
MW447.49 g/mol
LogP2.53
Rot. Bonds5

About [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate (PubChem CID 47012359) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate
PubChem CID47012359
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate
SMILESCn1cccc1C(=O)NC(=O)COC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C25H25N3O5/c1-27-13-5-10-21(27)23(30)26-22(29)16-33-25(32)18-11-14-28(15-12-18)24(31)20-9-4-7-17-6-2-3-8-19(17)20/h2-10,13,18H,11-12,14-16H2,1H3,(H,26,29,30)
InChIKeyBPDDOVHNTINGDF-UHFFFAOYSA-N
XLogP2.53
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,6-dimethylphenyl) 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate
CID 55430074
(5-methyl-1,2-oxazol-3-yl)methyl 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate
CID 27426027
N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 17465957
[2-(tert-butylamino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739854
[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 119645989
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-benzamidoacetate
CID 7889613
(2-benzamido-2-oxoethyl) 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 55321041
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554043
1-O-tert-butyl 4-O-[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] piperidine-1,4-dicarboxylate
CID 8924245
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] (3S)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7871448
N-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 119405475

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate?
The IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate (CID 47012359) is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate is Cn1cccc1C(=O)NC(=O)COC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate?
The InChIKey is BPDDOVHNTINGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-27-13-5-10-21(27)23(30)26-22(29)16-33-25(32)18-11-14-28(15-12-18)24(31)20-9-4-7-17-6-2-3-8-19(17)20/h2-10,13,18H,11-12,14-16H2,1H3,(H,26,29,30).
What are the key properties of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate?
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate has a molecular weight of 447.49 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 47012359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).