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

C19H30N8O — CID 45241189

IUPACN-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyrimidin-4-ylethyl)butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)N(C)C(C)c2ccncn2)CC1
InChIInChI=1S/C19H30N8O/c1-15-7-11-26(12-8-15)13-18-22-23-24-27(18)10-4-5-19(28)25(3)16(2)17-6-9-20-14-21-17/h6,9,14-16H,4-5,7-8,10-13H2,1-3H3
InChIKeyILVSJIDIPGUHPP-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.69
Rot. Bonds8

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

N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyrimidin-4-ylethyl)butanamide (PubChem CID 45241189) has the molecular formula C19H30N8O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyrimidin-4-ylethyl)butanamide.

Molecular Properties

Compound NameN-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyrimidin-4-ylethyl)butanamide
PubChem CID45241189
Molecular FormulaC19H30N8O
Molecular Weight386.50 g/mol
Exact Mass386.25
IUPAC NameN-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyrimidin-4-ylethyl)butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)N(C)C(C)c2ccncn2)CC1
InChIInChI=1S/C19H30N8O/c1-15-7-11-26(12-8-15)13-18-22-23-24-27(18)10-4-5-19(28)25(3)16(2)17-6-9-20-14-21-17/h6,9,14-16H,4-5,7-8,10-13H2,1-3H3
InChIKeyILVSJIDIPGUHPP-UHFFFAOYSA-N
XLogP1.69
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-pyrimidin-4-ylethyl]butanamide
CID 124754851
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
CID 42591469
N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-oxan-2-yl]methyl]butanamide
CID 25382967
N-methyl-3-(2-oxopiperidin-1-yl)-N-[(1R)-1-pyrimidin-4-ylethyl]propanamide
CID 124757772
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide
CID 26315001
N-(1,1-dioxothian-4-yl)-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
CID 72874641
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
CID 42519798
N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
CID 42596730
4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide
CID 24819328
N-[(1-ethylpyrazol-4-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
CID 26336170
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyrimidin-4-ylethyl)butanamide?
The IUPAC name of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyrimidin-4-ylethyl)butanamide (CID 45241189) is N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyrimidin-4-ylethyl)butanamide.
What is the SMILES notation for N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyrimidin-4-ylethyl)butanamide?
The canonical SMILES for N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyrimidin-4-ylethyl)butanamide is CC1CCN(Cc2nnnn2CCCC(=O)N(C)C(C)c2ccncn2)CC1.
What is the InChIKey of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyrimidin-4-ylethyl)butanamide?
The InChIKey is ILVSJIDIPGUHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N8O/c1-15-7-11-26(12-8-15)13-18-22-23-24-27(18)10-4-5-19(28)25(3)16(2)17-6-9-20-14-21-17/h6,9,14-16H,4-5,7-8,10-13H2,1-3H3.
What are the key properties of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyrimidin-4-ylethyl)butanamide?
N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyrimidin-4-ylethyl)butanamide has a molecular weight of 386.50 g/mol, XLogP of 1.69, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyrimidin-4-ylethyl)butanamide is sourced from PubChem (CID 45241189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).