N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(5-methyltetrazol-1-yl)propanamide

C17H23ClN6O — CID 131913211

IUPACN-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1CCC(=O)Nc1cc(Cl)ccc1N1CCCC(C)C1
InChIInChI=1S/C17H23ClN6O/c1-12-4-3-8-23(11-12)16-6-5-14(18)10-15(16)19-17(25)7-9-24-13(2)20-21-22-24/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,19,25)
InChIKeyRMDAIXFEVJAZKO-UHFFFAOYSA-N
MW362.87 g/mol
LogP2.90
Rot. Bonds5

About N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(5-methyltetrazol-1-yl)propanamide

N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(5-methyltetrazol-1-yl)propanamide (PubChem CID 131913211) has the molecular formula C17H23ClN6O and a molecular weight of 362.87 g/mol. Its IUPAC name is N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(5-methyltetrazol-1-yl)propanamide
PubChem CID131913211
Molecular FormulaC17H23ClN6O
Molecular Weight362.87 g/mol
Exact Mass362.16
IUPAC NameN-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1CCC(=O)Nc1cc(Cl)ccc1N1CCCC(C)C1
InChIInChI=1S/C17H23ClN6O/c1-12-4-3-8-23(11-12)16-6-5-14(18)10-15(16)19-17(25)7-9-24-13(2)20-21-22-24/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,19,25)
InChIKeyRMDAIXFEVJAZKO-UHFFFAOYSA-N
XLogP2.90
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.87
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 131913073
N-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 109032944
N-(5-chloro-2-piperidin-1-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 16572641
4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide
CID 119829370
N-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196455
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide
CID 47108337
[2-(2,5-dichloroanilino)-2-oxoethyl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate
CID 4638659
N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014572
N-(5-chloro-2-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335793
3-[(4-methylbenzoyl)amino]-4-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 95063995
N-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882013
[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine
CID 10586057

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(5-methyltetrazol-1-yl)propanamide (CID 131913211) is N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(5-methyltetrazol-1-yl)propanamide is Cc1nnnn1CCC(=O)Nc1cc(Cl)ccc1N1CCCC(C)C1.
What is the InChIKey of N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is RMDAIXFEVJAZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN6O/c1-12-4-3-8-23(11-12)16-6-5-14(18)10-15(16)19-17(25)7-9-24-13(2)20-21-22-24/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,19,25).
What are the key properties of N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(5-methyltetrazol-1-yl)propanamide?
N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 362.87 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 131913211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).