benzyl 4-[2-[2-[[5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate

C24H28N6O3 — CID 77143526

IUPACbenzyl 4-[2-[2-[[5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(C2CC2CCOc2ccc(-n3cnnn3)cn2)CC1
InChIInChI=1S/C24H28N6O3/c31-24(33-16-18-4-2-1-3-5-18)29-11-8-19(9-12-29)22-14-20(22)10-13-32-23-7-6-21(15-25-23)30-17-26-27-28-30/h1-7,15,17,19-20,22H,8-14,16H2
InChIKeyUTHWJLNVLKDWBY-UHFFFAOYSA-N
MW448.53 g/mol
LogP3.51
Rot. Bonds8

About benzyl 4-[2-[2-[[5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate

benzyl 4-[2-[2-[[5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate (PubChem CID 77143526) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is benzyl 4-[2-[2-[[5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[2-[2-[[5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate
PubChem CID77143526
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Namebenzyl 4-[2-[2-[[5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(C2CC2CCOc2ccc(-n3cnnn3)cn2)CC1
InChIInChI=1S/C24H28N6O3/c31-24(33-16-18-4-2-1-3-5-18)29-11-8-19(9-12-29)22-14-20(22)10-13-32-23-7-6-21(15-25-23)30-17-26-27-28-30/h1-7,15,17,19-20,22H,8-14,16H2
InChIKeyUTHWJLNVLKDWBY-UHFFFAOYSA-N
XLogP3.51
TPSA95.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

benzyl 4-[(1R,2S)-2-[2-[[5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate
CID 66563575
benzyl 4-[2-[2-[[5-(2H-triazet-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate
CID 123327093
propyl 4-[(1R,2S)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidine-1-carboxylate
CID 70856028
benzyl 4-[(1R,2S)-2-[2-(4-methylphenyl)sulfonyloxyethyl]cyclopropyl]piperidine-1-carboxylate
CID 89036885
benzyl 4-[(1R,2S)-2-[2-[(3-methyl-5-nitro-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidine-1-carboxylate
CID 70819067
N-(6-phenylmethoxy-3-pyridinyl)-4-(tetrazol-1-yl)benzamide
CID 55960600
benzyl 4-(3-aminocyclobutyl)piperidine-1-carboxylate
CID 166595522
N-[(1Z)-2-methylbuta-1,3-dienyl]-1-[4-[(2S)-2-[2-[[5-(triazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]ethanimine
CID 89143339
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-[(1R,2S)-2-[2-[(1-ethylsulfonylpiperidin-4-yl)methoxy]ethyl]cyclopropyl]piperidine-1-carboxylate;1-ethylsulfonyl-4-[2-[(1S,2R)-2-piperidin-4-ylcyclopropyl]ethoxymethyl]piperidine;methane
CID 161186290
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759
benzyl 4-pyrrolidin-2-ylpiperidine-1-carboxylate
CID 175106177

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[2-[2-[[5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[2-[2-[[5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate (CID 77143526) is benzyl 4-[2-[2-[[5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[2-[2-[[5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[2-[2-[[5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(C2CC2CCOc2ccc(-n3cnnn3)cn2)CC1.
What is the InChIKey of benzyl 4-[2-[2-[[5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate?
The InChIKey is UTHWJLNVLKDWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c31-24(33-16-18-4-2-1-3-5-18)29-11-8-19(9-12-29)22-14-20(22)10-13-32-23-7-6-21(15-25-23)30-17-26-27-28-30/h1-7,15,17,19-20,22H,8-14,16H2.
What are the key properties of benzyl 4-[2-[2-[[5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate?
benzyl 4-[2-[2-[[5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate has a molecular weight of 448.53 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[2-[2-[[5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate is sourced from PubChem (CID 77143526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).