propyl 4-[(1R,2S)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidine-1-carboxylate

C21H29N5O3 — CID 70856028

IUPACpropyl 4-[(1R,2S)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC([C@H]2C[C@H]2CCOc2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C21H29N5O3/c1-2-12-29-21(27)25-10-7-16(8-11-25)20-14-17(20)9-13-28-19-5-3-18(4-6-19)26-15-22-23-24-26/h3-6,15-17,20H,2,7-14H2,1H3/t17-,20-/m1/s1
InChIKeyIMFCHEHNNCAMQM-YLJYHZDGSA-N
MW399.50 g/mol
LogP3.33
Rot. Bonds8

About propyl 4-[(1R,2S)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidine-1-carboxylate

propyl 4-[(1R,2S)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidine-1-carboxylate (PubChem CID 70856028) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is propyl 4-[(1R,2S)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-[(1R,2S)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidine-1-carboxylate
PubChem CID70856028
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Namepropyl 4-[(1R,2S)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC([C@H]2C[C@H]2CCOc2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C21H29N5O3/c1-2-12-29-21(27)25-10-7-16(8-11-25)20-14-17(20)9-13-28-19-5-3-18(4-6-19)26-15-22-23-24-26/h3-6,15-17,20H,2,7-14H2,1H3/t17-,20-/m1/s1
InChIKeyIMFCHEHNNCAMQM-YLJYHZDGSA-N
XLogP3.33
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze propyl 4-[(1R,2S)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate
CID 77143526
4-[(1S,2R)-2-[2-[[5-(tetrazol-1-yl)pyrimidin-2-yl]amino]ethyl]cyclopropyl]piperidine-1-carboxylic acid
CID 118387905
(1-methylcyclopropyl) 4-[(1R,2S)-2-[2-(4-cyclopropylsulfonylphenoxy)ethyl]cyclopropyl]piperidine-1-carboxylate
CID 70855946
N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 59708623
ethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate
CID 1259832
ethyl 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylate
CID 123790231
N-cyclohexyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2090380
benzyl 4-[2-[2-[[5-(2H-triazet-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate
CID 123327093
1-[(2R)-2-ethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone
CID 95253981
5-[4-[(1R,2R)-2-[2-[2-fluoro-4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 118272595
tert-butyl 4-[4-(tetrazol-1-yl)anilino]piperidine-1-carboxylate
CID 18539221

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(1R,2S)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidine-1-carboxylate?
The IUPAC name of propyl 4-[(1R,2S)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidine-1-carboxylate (CID 70856028) is propyl 4-[(1R,2S)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidine-1-carboxylate.
What is the SMILES notation for propyl 4-[(1R,2S)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidine-1-carboxylate?
The canonical SMILES for propyl 4-[(1R,2S)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidine-1-carboxylate is CCCOC(=O)N1CCC([C@H]2C[C@H]2CCOc2ccc(-n3cnnn3)cc2)CC1.
What is the InChIKey of propyl 4-[(1R,2S)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidine-1-carboxylate?
The InChIKey is IMFCHEHNNCAMQM-YLJYHZDGSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-2-12-29-21(27)25-10-7-16(8-11-25)20-14-17(20)9-13-28-19-5-3-18(4-6-19)26-15-22-23-24-26/h3-6,15-17,20H,2,7-14H2,1H3/t17-,20-/m1/s1.
What are the key properties of propyl 4-[(1R,2S)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidine-1-carboxylate?
propyl 4-[(1R,2S)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidine-1-carboxylate has a molecular weight of 399.50 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(1R,2S)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidine-1-carboxylate is sourced from PubChem (CID 70856028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).