ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate

C11H18N6O3 — CID 94187844

IUPACethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)N[C@H]1CCCN(C(=O)Cn2cnnn2)C1
InChIInChI=1S/C11H18N6O3/c1-2-20-11(19)13-9-4-3-5-16(6-9)10(18)7-17-8-12-14-15-17/h8-9H,2-7H2,1H3,(H,13,19)/t9-/m0/s1
InChIKeyDVGSRDBGHFTAAF-VIFPVBQESA-N
MW282.30 g/mol
LogP-0.59
Rot. Bonds4

About ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate

ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate (PubChem CID 94187844) has the molecular formula C11H18N6O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate
PubChem CID94187844
Molecular FormulaC11H18N6O3
Molecular Weight282.30 g/mol
Exact Mass282.14
IUPAC Nameethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)N[C@H]1CCCN(C(=O)Cn2cnnn2)C1
InChIInChI=1S/C11H18N6O3/c1-2-20-11(19)13-9-4-3-5-16(6-9)10(18)7-17-8-12-14-15-17/h8-9H,2-7H2,1H3,(H,13,19)/t9-/m0/s1
InChIKeyDVGSRDBGHFTAAF-VIFPVBQESA-N
XLogP-0.59
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate
CID 43406985
N-(1-propanoylazepan-3-yl)-2-(tetrazol-1-yl)acetamide
CID 70733307
ethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
CID 31005006
ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate
CID 54873265
ethyl N-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]carbamate
CID 60963639
ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate
CID 54873299
ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate
CID 79473770
ethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate
CID 115949885
ethyl N-[1-(5-aminohexanoyl)piperidin-3-yl]carbamate
CID 82851351
(3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94182054
2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid
CID 55105139
1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 81458198

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate (CID 94187844) is ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate is CCOC(=O)N[C@H]1CCCN(C(=O)Cn2cnnn2)C1.
What is the InChIKey of ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate?
The InChIKey is DVGSRDBGHFTAAF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N6O3/c1-2-20-11(19)13-9-4-3-5-16(6-9)10(18)7-17-8-12-14-15-17/h8-9H,2-7H2,1H3,(H,13,19)/t9-/m0/s1.
What are the key properties of ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate?
ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate has a molecular weight of 282.30 g/mol, XLogP of -0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 94187844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).