tert-butyl 4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]piperidine-1-carboxylate

C22H34N4O3 — CID 135312286

IUPACtert-butyl 4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)CCCc2ccc3c(n2)NCCC3)CC1
InChIInChI=1S/C22H34N4O3/c1-22(2,3)29-21(28)26-14-11-18(12-15-26)24-19(27)8-4-7-17-10-9-16-6-5-13-23-20(16)25-17/h9-10,18H,4-8,11-15H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyBVDYDPRYPGKGTD-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.28
Rot. Bonds5

About tert-butyl 4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]piperidine-1-carboxylate

tert-butyl 4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]piperidine-1-carboxylate (PubChem CID 135312286) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is tert-butyl 4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]piperidine-1-carboxylate
PubChem CID135312286
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Nametert-butyl 4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)CCCc2ccc3c(n2)NCCC3)CC1
InChIInChI=1S/C22H34N4O3/c1-22(2,3)29-21(28)26-14-11-18(12-15-26)24-19(27)8-4-7-17-10-9-16-6-5-13-23-20(16)25-17/h9-10,18H,4-8,11-15H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyBVDYDPRYPGKGTD-UHFFFAOYSA-N
XLogP3.28
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carboxylate
CID 12017167
tert-butyl 3-[1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidin-1-yl]ethenyl]azetidine-1-carboxylate
CID 147972017
tert-butyl N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate
CID 54085210
2-phenyl-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]azetidin-1-yl]acetic acid
CID 135312475
(2S)-2-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxycarbonylamino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
CID 153475002
4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;trihydrochloride
CID 169448886
(3R)-5-oxo-3-phenyl-5-[[(3R)-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]pyrrolidin-3-yl]amino]pentanoic acid
CID 174336819
tert-butyl 4-[6-(2H-triazol-4-yl)hexanoylamino]piperidine-1-carboxylate;N-piperidin-4-yl-6-(2H-triazol-4-yl)hexanamide
CID 90219206
(2S)-2-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 146483454
tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 51124373
3,3-dimethyl-2-[2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]ethyl]butanoic acid;ethane
CID 153402679
2-[[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carbonyl]amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 146483434

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]piperidine-1-carboxylate (CID 135312286) is tert-butyl 4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)CCCc2ccc3c(n2)NCCC3)CC1.
What is the InChIKey of tert-butyl 4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]piperidine-1-carboxylate?
The InChIKey is BVDYDPRYPGKGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-22(2,3)29-21(28)26-14-11-18(12-15-26)24-19(27)8-4-7-17-10-9-16-6-5-13-23-20(16)25-17/h9-10,18H,4-8,11-15H2,1-3H3,(H,23,25)(H,24,27).
What are the key properties of tert-butyl 4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]piperidine-1-carboxylate?
tert-butyl 4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]piperidine-1-carboxylate has a molecular weight of 402.54 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 135312286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).