4-(cyclopropanecarbonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide

C17H21N7O2 — CID 55697259

IUPAC4-(cyclopropanecarbonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(=O)C3CC3)CC2)cc1-n1cnnn1
InChIInChI=1S/C17H21N7O2/c1-12-2-5-14(10-15(12)24-11-18-20-21-24)19-17(26)23-8-6-22(7-9-23)16(25)13-3-4-13/h2,5,10-11,13H,3-4,6-9H2,1H3,(H,19,26)
InChIKeyMQCQJQBVHPVSPF-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.06
Rot. Bonds3

About 4-(cyclopropanecarbonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide

4-(cyclopropanecarbonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide (PubChem CID 55697259) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
PubChem CID55697259
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name4-(cyclopropanecarbonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(=O)C3CC3)CC2)cc1-n1cnnn1
InChIInChI=1S/C17H21N7O2/c1-12-2-5-14(10-15(12)24-11-18-20-21-24)19-17(26)23-8-6-22(7-9-23)16(25)13-3-4-13/h2,5,10-11,13H,3-4,6-9H2,1H3,(H,19,26)
InChIKeyMQCQJQBVHPVSPF-UHFFFAOYSA-N
XLogP1.06
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methyl-3-(tetrazol-1-yl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86988626
4-(2-anilino-2-oxoethyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 55697419
4-[cyclohexyl(methyl)sulfamoyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 55697672
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpiperidine-1-carboxamide
CID 75524686
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 55697418
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 86837518
(3aS,6aR)-2-[[4-methyl-3-(tetrazol-1-yl)phenyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122075651
2-(cyclopropylmethylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119720369
1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 47033827
3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 60866697
2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide
CID 64823717
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide (CID 55697259) is 4-(cyclopropanecarbonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(C(=O)C3CC3)CC2)cc1-n1cnnn1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is MQCQJQBVHPVSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-12-2-5-14(10-15(12)24-11-18-20-21-24)19-17(26)23-8-6-22(7-9-23)16(25)13-3-4-13/h2,5,10-11,13H,3-4,6-9H2,1H3,(H,19,26).
What are the key properties of 4-(cyclopropanecarbonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide?
4-(cyclopropanecarbonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 55697259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).