tert-butyl 4-[cyclopropyl-[3-(propan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate

C21H34N4O2 — CID 11793824

IUPACtert-butyl 4-[cyclopropyl-[3-(propan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCC(C)Nc1cccnc1N(C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H34N4O2/c1-15(2)23-18-7-6-12-22-19(18)25(16-8-9-16)17-10-13-24(14-11-17)20(26)27-21(3,4)5/h6-7,12,15-17,23H,8-11,13-14H2,1-5H3
InChIKeyGVHHBGYBYCQDPL-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.27
Rot. Bonds5

About tert-butyl 4-[cyclopropyl-[3-(propan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate

tert-butyl 4-[cyclopropyl-[3-(propan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 11793824) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is tert-butyl 4-[cyclopropyl-[3-(propan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[cyclopropyl-[3-(propan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID11793824
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Nametert-butyl 4-[cyclopropyl-[3-(propan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCC(C)Nc1cccnc1N(C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H34N4O2/c1-15(2)23-18-7-6-12-22-19(18)25(16-8-9-16)17-10-13-24(14-11-17)20(26)27-21(3,4)5/h6-7,12,15-17,23H,8-11,13-14H2,1-5H3
InChIKeyGVHHBGYBYCQDPL-UHFFFAOYSA-N
XLogP4.27
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[methyl-[3-(2-methylbutan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 10762096
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tert-butyl 4-[(2-ethyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 138472256
tert-butyl 4-[3-(2-hydroxyethylamino)-2-pyridinyl]piperidine-1-carboxylate
CID 138487958
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
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tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-[[(1S)-1-pyridin-3-ylethyl]amino]azepane-1-carboxylate
CID 103982627
tert-butyl 4-[[3-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]methoxy]piperidine-1-carboxylate
CID 153382008
tert-butyl 4-pyrimidin-2-ylsulfinylpiperidine-1-carboxylate
CID 71629995
tert-butyl 4-[2-(dimethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 110312079
tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine
CID 153338980
tert-butyl 4-[4-(propan-2-ylamino)pyrazol-1-yl]piperidine-1-carboxylate
CID 104584235

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[cyclopropyl-[3-(propan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[cyclopropyl-[3-(propan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate (CID 11793824) is tert-butyl 4-[cyclopropyl-[3-(propan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[cyclopropyl-[3-(propan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[cyclopropyl-[3-(propan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate is CC(C)Nc1cccnc1N(C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[cyclopropyl-[3-(propan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is GVHHBGYBYCQDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-15(2)23-18-7-6-12-22-19(18)25(16-8-9-16)17-10-13-24(14-11-17)20(26)27-21(3,4)5/h6-7,12,15-17,23H,8-11,13-14H2,1-5H3.
What are the key properties of tert-butyl 4-[cyclopropyl-[3-(propan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[cyclopropyl-[3-(propan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 374.53 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[cyclopropyl-[3-(propan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 11793824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).