N-[(1-ethylpyrazol-4-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide

C18H30N8O — CID 26336170

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
SMILESCCn1cc(CNC(=O)CCCn2nnnc2CN2CCC(C)CC2)cn1
InChIInChI=1S/C18H30N8O/c1-3-25-13-16(12-20-25)11-19-18(27)5-4-8-26-17(21-22-23-26)14-24-9-6-15(2)7-10-24/h12-13,15H,3-11,14H2,1-2H3,(H,19,27)
InChIKeyXVDOOVZBWRXZOJ-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.22
Rot. Bonds9

About N-[(1-ethylpyrazol-4-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide

N-[(1-ethylpyrazol-4-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide (PubChem CID 26336170) has the molecular formula C18H30N8O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
PubChem CID26336170
Molecular FormulaC18H30N8O
Molecular Weight374.49 g/mol
Exact Mass374.25
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
SMILESCCn1cc(CNC(=O)CCCn2nnnc2CN2CCC(C)CC2)cn1
InChIInChI=1S/C18H30N8O/c1-3-25-13-16(12-20-25)11-19-18(27)5-4-8-26-17(21-22-23-26)14-24-9-6-15(2)7-10-24/h12-13,15H,3-11,14H2,1-2H3,(H,19,27)
InChIKeyXVDOOVZBWRXZOJ-UHFFFAOYSA-N
XLogP1.22
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(1-ethylpyrazol-4-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide 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

4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide
CID 24819328
N-(1,1-dioxothian-4-yl)-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
CID 72874641
N-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
CID 25483900
N-(2-methyl-2-morpholin-4-ylpropyl)-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
CID 24794167
1-[(1-butyltetrazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)piperidine
CID 86773540
N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
CID 42596730
N-[(3-methyl-4-pyridinyl)methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide
CID 72923800
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
CID 42519798
N-[(1-ethylpyrazol-4-yl)methyl]-3-[(2R,5R)-5-methyloxolan-2-yl]propanamide
CID 97218795
7-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
CID 119845060
N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-oxan-2-yl]methyl]butanamide
CID 25382967
1-[(1-butyltetrazol-5-yl)methyl]piperidine-4-carbaldehyde
CID 62655758

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide (CID 26336170) is N-[(1-ethylpyrazol-4-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide is CCn1cc(CNC(=O)CCCn2nnnc2CN2CCC(C)CC2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?
The InChIKey is XVDOOVZBWRXZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N8O/c1-3-25-13-16(12-20-25)11-19-18(27)5-4-8-26-17(21-22-23-26)14-24-9-6-15(2)7-10-24/h12-13,15H,3-11,14H2,1-2H3,(H,19,27).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?
N-[(1-ethylpyrazol-4-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide has a molecular weight of 374.49 g/mol, XLogP of 1.22, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide is sourced from PubChem (CID 26336170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).