tert-butyl (2S)-2-[(4-methoxy-3-pyridinyl)carbamoyl]piperidine-1-carboxylate

C17H25N3O4 — CID 75467196

IUPACtert-butyl (2S)-2-[(4-methoxy-3-pyridinyl)carbamoyl]piperidine-1-carboxylate
SMILESCOc1ccncc1NC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H25N3O4/c1-17(2,3)24-16(22)20-10-6-5-7-13(20)15(21)19-12-11-18-9-8-14(12)23-4/h8-9,11,13H,5-7,10H2,1-4H3,(H,19,21)/t13-/m0/s1
InChIKeyJFJOABSGCVNKBV-ZDUSSCGKSA-N
MW335.40 g/mol
LogP2.82
Rot. Bonds3

About tert-butyl (2S)-2-[(4-methoxy-3-pyridinyl)carbamoyl]piperidine-1-carboxylate

tert-butyl (2S)-2-[(4-methoxy-3-pyridinyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 75467196) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(4-methoxy-3-pyridinyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(4-methoxy-3-pyridinyl)carbamoyl]piperidine-1-carboxylate
PubChem CID75467196
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Nametert-butyl (2S)-2-[(4-methoxy-3-pyridinyl)carbamoyl]piperidine-1-carboxylate
SMILESCOc1ccncc1NC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H25N3O4/c1-17(2,3)24-16(22)20-10-6-5-7-13(20)15(21)19-12-11-18-9-8-14(12)23-4/h8-9,11,13H,5-7,10H2,1-4H3,(H,19,21)/t13-/m0/s1
InChIKeyJFJOABSGCVNKBV-ZDUSSCGKSA-N
XLogP2.82
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2R)-2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 41373974
tert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate
CID 95179847
tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate
CID 52774591
tert-butyl (2S)-2-[(3-chloro-4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 11934895
(4R)-3-(cyclopentanecarbonyl)-N-(4-methoxy-3-pyridinyl)-1,3-thiazolidine-4-carboxamide
CID 95321791
tert-butyl (2R)-2-[(1S)-1-(4-methoxy-3-pyridinyl)ethyl]azepane-1-carboxylate
CID 178103353
tert-butyl 2-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 70865351
tert-butyl (2S)-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 69444585
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid
CID 156529148
tert-butyl 2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2876068
tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 797689
tert-butyl (2S)-2-[(2-methoxy-5-phenylmethoxycarbonylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 10671409

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(4-methoxy-3-pyridinyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(4-methoxy-3-pyridinyl)carbamoyl]piperidine-1-carboxylate (CID 75467196) is tert-butyl (2S)-2-[(4-methoxy-3-pyridinyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(4-methoxy-3-pyridinyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(4-methoxy-3-pyridinyl)carbamoyl]piperidine-1-carboxylate is COc1ccncc1NC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[(4-methoxy-3-pyridinyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is JFJOABSGCVNKBV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-17(2,3)24-16(22)20-10-6-5-7-13(20)15(21)19-12-11-18-9-8-14(12)23-4/h8-9,11,13H,5-7,10H2,1-4H3,(H,19,21)/t13-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(4-methoxy-3-pyridinyl)carbamoyl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[(4-methoxy-3-pyridinyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(4-methoxy-3-pyridinyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 75467196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).