tert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate

C18H27N3O3 — CID 95179847

IUPACtert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate
SMILESC[C@@H](NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccncc1
InChIInChI=1S/C18H27N3O3/c1-13(14-8-10-19-11-9-14)20-16(22)15-7-5-6-12-21(15)17(23)24-18(2,3)4/h8-11,13,15H,5-7,12H2,1-4H3,(H,20,22)/t13-,15-/m1/s1
InChIKeyNKRLVNIYNOMNFT-UKRRQHHQSA-N
MW333.43 g/mol
LogP3.05
Rot. Bonds3

About tert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate

tert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 95179847) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate
PubChem CID95179847
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Nametert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate
SMILESC[C@@H](NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccncc1
InChIInChI=1S/C18H27N3O3/c1-13(14-8-10-19-11-9-14)20-16(22)15-7-5-6-12-21(15)17(23)24-18(2,3)4/h8-11,13,15H,5-7,12H2,1-4H3,(H,20,22)/t13-,15-/m1/s1
InChIKeyNKRLVNIYNOMNFT-UKRRQHHQSA-N
XLogP3.05
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate with MolForge

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Related Compounds

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tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate
CID 100994535
tert-butyl 2-[1-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 55330650
tert-butyl (2R)-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate
CID 75467174
tert-butyl 2-[5-[4-[4-[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]ethyl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 66741530
tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate
CID 52774591
tert-butyl 2-(3-methylbutan-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 73237927
tert-butyl (2R)-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 35704649
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid
CID 156529148
tert-butyl 2-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 78806775
tert-butyl 2-(1,7-dipyridin-3-ylheptan-4-ylcarbamoyl)piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate (CID 95179847) is tert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate is C[C@@H](NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccncc1.
What is the InChIKey of tert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is NKRLVNIYNOMNFT-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13(14-8-10-19-11-9-14)20-16(22)15-7-5-6-12-21(15)17(23)24-18(2,3)4/h8-11,13,15H,5-7,12H2,1-4H3,(H,20,22)/t13-,15-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate?
tert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 95179847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).