2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide

C18H29N9O — CID 45195839

IUPAC2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)NCC1CCCN(c2ncccn2)C1
InChIInChI=1S/C18H29N9O/c1-14(2)25(3)12-16-22-23-24-27(16)13-17(28)21-10-15-6-4-9-26(11-15)18-19-7-5-8-20-18/h5,7-8,14-15H,4,6,9-13H2,1-3H3,(H,21,28)
InChIKeyFXCSBIRTCVPCNH-UHFFFAOYSA-N
MW387.49 g/mol
LogP0.34
Rot. Bonds8

About 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide

2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide (PubChem CID 45195839) has the molecular formula C18H29N9O and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide
PubChem CID45195839
Molecular FormulaC18H29N9O
Molecular Weight387.49 g/mol
Exact Mass387.25
IUPAC Name2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)NCC1CCCN(c2ncccn2)C1
InChIInChI=1S/C18H29N9O/c1-14(2)25(3)12-16-22-23-24-27(16)13-17(28)21-10-15-6-4-9-26(11-15)18-19-7-5-8-20-18/h5,7-8,14-15H,4,6,9-13H2,1-3H3,(H,21,28)
InChIKeyFXCSBIRTCVPCNH-UHFFFAOYSA-N
XLogP0.34
TPSA104.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide 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

2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]acetamide
CID 25385090
(3S)-N,N-diethyl-1-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperidine-3-carboxamide
CID 26329166
2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2-phenylcyclopropyl)acetamide
CID 156606204
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]acetamide
CID 99926421
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]urea
CID 126428306
1,2-dimethyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine
CID 86814436
1,2-dimethyl-3-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]guanidine
CID 97160556
N-(cyclopropylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 32847121
N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide
CID 72844031
N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide
CID 90652236
2-(benzotriazol-2-yl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]acetamide
CID 91779081
N-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide
CID 99715561

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide?
The IUPAC name of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide (CID 45195839) is 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide is CC(C)N(C)Cc1nnnn1CC(=O)NCC1CCCN(c2ncccn2)C1.
What is the InChIKey of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide?
The InChIKey is FXCSBIRTCVPCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N9O/c1-14(2)25(3)12-16-22-23-24-27(16)13-17(28)21-10-15-6-4-9-26(11-15)18-19-7-5-8-20-18/h5,7-8,14-15H,4,6,9-13H2,1-3H3,(H,21,28).
What are the key properties of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide?
2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide has a molecular weight of 387.49 g/mol, XLogP of 0.34, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide is sourced from PubChem (CID 45195839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).