[1-(dibenzylamino)-1-oxopropan-2-yl] 1-pyrimidin-2-ylpiperidine-4-carboxylate

C27H30N4O3 — CID 55701319

IUPAC[1-(dibenzylamino)-1-oxopropan-2-yl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
SMILESCC(OC(=O)C1CCN(c2ncccn2)CC1)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H30N4O3/c1-21(34-26(33)24-13-17-30(18-14-24)27-28-15-8-16-29-27)25(32)31(19-22-9-4-2-5-10-22)20-23-11-6-3-7-12-23/h2-12,15-16,21,24H,13-14,17-20H2,1H3
InChIKeySEIITWGUICOPNW-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.85
Rot. Bonds8

About [1-(dibenzylamino)-1-oxopropan-2-yl] 1-pyrimidin-2-ylpiperidine-4-carboxylate

[1-(dibenzylamino)-1-oxopropan-2-yl] 1-pyrimidin-2-ylpiperidine-4-carboxylate (PubChem CID 55701319) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is [1-(dibenzylamino)-1-oxopropan-2-yl] 1-pyrimidin-2-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[1-(dibenzylamino)-1-oxopropan-2-yl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
PubChem CID55701319
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name[1-(dibenzylamino)-1-oxopropan-2-yl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
SMILESCC(OC(=O)C1CCN(c2ncccn2)CC1)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H30N4O3/c1-21(34-26(33)24-13-17-30(18-14-24)27-28-15-8-16-29-27)25(32)31(19-22-9-4-2-5-10-22)20-23-11-6-3-7-12-23/h2-12,15-16,21,24H,13-14,17-20H2,1H3
InChIKeySEIITWGUICOPNW-UHFFFAOYSA-N
XLogP3.85
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(dibenzylamino)-1-oxopropan-2-yl] 1-pyrimidin-2-ylpiperidine-4-carboxylate with MolForge

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Related Compounds

(1-morpholin-4-yl-1-oxopropan-2-yl) 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55998836
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836607
[1-(dibenzylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 55319467
[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55998438
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 39965209
(2R)-2-[benzyl(methyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 32727669
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 94618620
[1-(dibenzylamino)-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate
CID 46792741
propan-2-yl 1-benzylpiperidine-4-carboxylate
CID 83983156
prop-2-enyl 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 86826366
N-benzyl-N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990448

Frequently Asked Questions

What is the IUPAC name of [1-(dibenzylamino)-1-oxopropan-2-yl] 1-pyrimidin-2-ylpiperidine-4-carboxylate?
The IUPAC name of [1-(dibenzylamino)-1-oxopropan-2-yl] 1-pyrimidin-2-ylpiperidine-4-carboxylate (CID 55701319) is [1-(dibenzylamino)-1-oxopropan-2-yl] 1-pyrimidin-2-ylpiperidine-4-carboxylate.
What is the SMILES notation for [1-(dibenzylamino)-1-oxopropan-2-yl] 1-pyrimidin-2-ylpiperidine-4-carboxylate?
The canonical SMILES for [1-(dibenzylamino)-1-oxopropan-2-yl] 1-pyrimidin-2-ylpiperidine-4-carboxylate is CC(OC(=O)C1CCN(c2ncccn2)CC1)C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [1-(dibenzylamino)-1-oxopropan-2-yl] 1-pyrimidin-2-ylpiperidine-4-carboxylate?
The InChIKey is SEIITWGUICOPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-21(34-26(33)24-13-17-30(18-14-24)27-28-15-8-16-29-27)25(32)31(19-22-9-4-2-5-10-22)20-23-11-6-3-7-12-23/h2-12,15-16,21,24H,13-14,17-20H2,1H3.
What are the key properties of [1-(dibenzylamino)-1-oxopropan-2-yl] 1-pyrimidin-2-ylpiperidine-4-carboxylate?
[1-(dibenzylamino)-1-oxopropan-2-yl] 1-pyrimidin-2-ylpiperidine-4-carboxylate has a molecular weight of 458.56 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dibenzylamino)-1-oxopropan-2-yl] 1-pyrimidin-2-ylpiperidine-4-carboxylate is sourced from PubChem (CID 55701319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).