benzyl 4-[(4,6-dimethyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate

C21H25N3O3 — CID 69072738

IUPACbenzyl 4-[(4,6-dimethyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
SMILESCc1cc(C)nc(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)c1
InChIInChI=1S/C21H25N3O3/c1-15-12-16(2)22-19(13-15)23-20(25)18-8-10-24(11-9-18)21(26)27-14-17-6-4-3-5-7-17/h3-7,12-13,18H,8-11,14H2,1-2H3,(H,22,23,25)
InChIKeyPTATWRJCQHWCFJ-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.69
Rot. Bonds4

About benzyl 4-[(4,6-dimethyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate

benzyl 4-[(4,6-dimethyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 69072738) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is benzyl 4-[(4,6-dimethyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(4,6-dimethyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
PubChem CID69072738
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Namebenzyl 4-[(4,6-dimethyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
SMILESCc1cc(C)nc(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)c1
InChIInChI=1S/C21H25N3O3/c1-15-12-16(2)22-19(13-15)23-20(25)18-8-10-24(11-9-18)21(26)27-14-17-6-4-3-5-7-17/h3-7,12-13,18H,8-11,14H2,1-2H3,(H,22,23,25)
InChIKeyPTATWRJCQHWCFJ-UHFFFAOYSA-N
XLogP3.69
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365789
benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365770
benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate
CID 10470827
benzyl 4-[(1-methylimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 122152865
benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate
CID 171405341
benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate
CID 3776046
benzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate
CID 94177956
benzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 121160967
benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate
CID 3416715
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate
CID 42880782
benzyl 4-[[(2S)-2-amino-3-phenylpropanoyl]oxycarbamoyl]piperidine-1-carboxylate
CID 54293771

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(4,6-dimethyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(4,6-dimethyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate (CID 69072738) is benzyl 4-[(4,6-dimethyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(4,6-dimethyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(4,6-dimethyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate is Cc1cc(C)nc(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)c1.
What is the InChIKey of benzyl 4-[(4,6-dimethyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is PTATWRJCQHWCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-12-16(2)22-19(13-15)23-20(25)18-8-10-24(11-9-18)21(26)27-14-17-6-4-3-5-7-17/h3-7,12-13,18H,8-11,14H2,1-2H3,(H,22,23,25).
What are the key properties of benzyl 4-[(4,6-dimethyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate?
benzyl 4-[(4,6-dimethyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 367.45 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(4,6-dimethyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 69072738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).