tert-butyl 4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate

C19H27N7O3 — CID 55808806

IUPACtert-butyl 4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate
SMILESCn1nnnc1-c1cccc(NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C19H27N7O3/c1-19(2,3)29-18(28)26-10-8-14(9-11-26)20-17(27)21-15-7-5-6-13(12-15)16-22-23-24-25(16)4/h5-7,12,14H,8-11H2,1-4H3,(H2,20,21,27)
InChIKeyRXBYQPRRPIYQEH-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.40
Rot. Bonds3

About tert-butyl 4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate

tert-butyl 4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate (PubChem CID 55808806) has the molecular formula C19H27N7O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is tert-butyl 4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate
PubChem CID55808806
Molecular FormulaC19H27N7O3
Molecular Weight401.47 g/mol
Exact Mass401.22
IUPAC Nametert-butyl 4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate
SMILESCn1nnnc1-c1cccc(NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C19H27N7O3/c1-19(2,3)29-18(28)26-10-8-14(9-11-26)20-17(27)21-15-7-5-6-13(12-15)16-22-23-24-25(16)4/h5-7,12,14H,8-11H2,1-4H3,(H2,20,21,27)
InChIKeyRXBYQPRRPIYQEH-UHFFFAOYSA-N
XLogP2.40
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897
tert-butyl (3R)-3-[(3-acetylphenyl)carbamoylamino]pyrrolidine-1-carboxylate
CID 95318306
tert-butyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoylamino]piperidine-1-carboxylate
CID 25070782
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea
CID 51115307
tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 9039069
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
(2S)-1-N-cyclohexyl-2-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 51960803
1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
CID 55698753
tert-butyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108900871
N-[2-methoxy-4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 48782752

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate (CID 55808806) is tert-butyl 4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate is Cn1nnnc1-c1cccc(NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate?
The InChIKey is RXBYQPRRPIYQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O3/c1-19(2,3)29-18(28)26-10-8-14(9-11-26)20-17(27)21-15-7-5-6-13(12-15)16-22-23-24-25(16)4/h5-7,12,14H,8-11H2,1-4H3,(H2,20,21,27).
What are the key properties of tert-butyl 4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate?
tert-butyl 4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate has a molecular weight of 401.47 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 55808806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).