ethyl N-[(3R)-1-[(1R,2R)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate

C14H21N5O3 — CID 124742483

IUPACethyl N-[(3R)-1-[(1R,2R)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ncn[nH]2)C1
InChIInChI=1S/C14H21N5O3/c1-2-22-14(21)17-9-4-3-5-19(7-9)13(20)11-6-10(11)12-15-8-16-18-12/h8-11H,2-7H2,1H3,(H,17,21)(H,15,16,18)/t9-,10-,11-/m1/s1
InChIKeyXYYAPJPLRSYHHF-GMTAPVOTSA-N
MW307.35 g/mol
LogP0.65
Rot. Bonds4

About ethyl N-[(3R)-1-[(1R,2R)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate

ethyl N-[(3R)-1-[(1R,2R)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate (PubChem CID 124742483) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl N-[(3R)-1-[(1R,2R)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3R)-1-[(1R,2R)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate
PubChem CID124742483
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Nameethyl N-[(3R)-1-[(1R,2R)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ncn[nH]2)C1
InChIInChI=1S/C14H21N5O3/c1-2-22-14(21)17-9-4-3-5-19(7-9)13(20)11-6-10(11)12-15-8-16-18-12/h8-11H,2-7H2,1H3,(H,17,21)(H,15,16,18)/t9-,10-,11-/m1/s1
InChIKeyXYYAPJPLRSYHHF-GMTAPVOTSA-N
XLogP0.65
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[(3R)-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate
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ethyl N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]carbamate
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ethyl N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]carbamate
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CID 94183634
ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate
CID 54873265
ethyl N-[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]carbamate
CID 75417290
ethyl N-[1-(2-bromopropanoyl)piperidin-3-yl]carbamate
CID 107904566
ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate
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ethyl N-[1-(2-chloropropanoyl)piperidin-3-yl]carbamate
CID 54876025
ethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate
CID 65269908
ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate
CID 79473770

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3R)-1-[(1R,2R)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[(3R)-1-[(1R,2R)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate (CID 124742483) is ethyl N-[(3R)-1-[(1R,2R)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(3R)-1-[(1R,2R)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[(3R)-1-[(1R,2R)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate is CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ncn[nH]2)C1.
What is the InChIKey of ethyl N-[(3R)-1-[(1R,2R)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate?
The InChIKey is XYYAPJPLRSYHHF-GMTAPVOTSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-2-22-14(21)17-9-4-3-5-19(7-9)13(20)11-6-10(11)12-15-8-16-18-12/h8-11H,2-7H2,1H3,(H,17,21)(H,15,16,18)/t9-,10-,11-/m1/s1.
What are the key properties of ethyl N-[(3R)-1-[(1R,2R)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate?
ethyl N-[(3R)-1-[(1R,2R)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate has a molecular weight of 307.35 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3R)-1-[(1R,2R)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 124742483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).