4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide

C18H33N7O2 — CID 24819328

IUPAC4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C18H33N7O2/c1-16-4-8-24(9-5-16)15-17-20-21-22-25(17)7-2-3-18(26)19-6-10-23-11-13-27-14-12-23/h16H,2-15H2,1H3,(H,19,26)
InChIKeyKGDPLNBNSSYNIA-UHFFFAOYSA-N
MW379.51 g/mol
LogP0.13
Rot. Bonds9

About 4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide

4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide (PubChem CID 24819328) has the molecular formula C18H33N7O2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide.

Molecular Properties

Compound Name4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide
PubChem CID24819328
Molecular FormulaC18H33N7O2
Molecular Weight379.51 g/mol
Exact Mass379.27
IUPAC Name4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C18H33N7O2/c1-16-4-8-24(9-5-16)15-17-20-21-22-25(17)7-2-3-18(26)19-6-10-23-11-13-27-14-12-23/h16H,2-15H2,1H3,(H,19,26)
InChIKeyKGDPLNBNSSYNIA-UHFFFAOYSA-N
XLogP0.13
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-({1-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-1H-tetrazol-5-yl}methyl)morpholine
CID 24790701
ethyl 4-(4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}butanoyl)-1-piperazinecarboxylate
CID 24791022
4-({1-[4-oxo-4-(3-propoxy-1-piperidinyl)butyl]-1H-tetrazol-5-yl}methyl)morpholine
CID 24791236
1-[2-(Methoxymethyl)piperidin-1-yl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butan-1-one
CID 24791947
N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)butanamide
CID 24793941
N-[2-methyl-2-(4-morpholinyl)propyl]-4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}butanamide
CID 24794167
N,N-diethyl-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxamide
CID 24817533
2-[4-(4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}butanoyl)-1-piperazinyl]ethanol
CID 25297349
(3S*)-1-isobutyl-3-methyl-4-{4-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]butanoyl}-2-piperazinone
CID 28134259
1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]propan-1-one
CID 164632299
1-[(3S)-3-[1-(3-methylbutyl)tetrazol-5-yl]-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]ethanone
CID 164640016
1-[1-[1-(2-Methoxyethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide
CID 3209209

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide?
The IUPAC name of 4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide (CID 24819328) is 4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide.
What is the SMILES notation for 4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide?
The canonical SMILES for 4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide is CC1CCN(Cc2nnnn2CCCC(=O)NCCN2CCOCC2)CC1.
What is the InChIKey of 4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide?
The InChIKey is KGDPLNBNSSYNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N7O2/c1-16-4-8-24(9-5-16)15-17-20-21-22-25(17)7-2-3-18(26)19-6-10-23-11-13-27-14-12-23/h16H,2-15H2,1H3,(H,19,26).
What are the key properties of 4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide?
4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide has a molecular weight of 379.51 g/mol, XLogP of 0.13, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide is sourced from PubChem (CID 24819328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).