N-pentan-3-yl-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide

C16H33N3O — CID 106637889

IUPACN-pentan-3-yl-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide
SMILESCCC(CC)NC(=O)CN(CC1CCCNC1)C(C)C
InChIInChI=1S/C16H33N3O/c1-5-15(6-2)18-16(20)12-19(13(3)4)11-14-8-7-9-17-10-14/h13-15,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyRBLXVYKQPXLIOR-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.00
Rot. Bonds8

About N-pentan-3-yl-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide

N-pentan-3-yl-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide (PubChem CID 106637889) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-pentan-3-yl-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-pentan-3-yl-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide
PubChem CID106637889
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-pentan-3-yl-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide
SMILESCCC(CC)NC(=O)CN(CC1CCCNC1)C(C)C
InChIInChI=1S/C16H33N3O/c1-5-15(6-2)18-16(20)12-19(13(3)4)11-14-8-7-9-17-10-14/h13-15,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyRBLXVYKQPXLIOR-UHFFFAOYSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-pentan-3-yl-2-[piperidin-3-ylmethyl(propan-2-yl)amino]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

N-(cyclopropylmethyl)-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide
CID 106637630
2-[piperidin-3-ylmethyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106637814
N-butan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]acetamide
CID 106640806
N-cyclopropyl-3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanamide
CID 106637897
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624258
N-(3-methylbutan-2-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]acetamide
CID 79714649
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride
CID 119930509
methyl 2-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]furan-3-carboxylate
CID 106637513
N-pentan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]propanamide
CID 106640714
N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclobutanecarboxamide
CID 106629002
2-[ethyl(pyrrolidin-3-yl)amino]-N-pentan-3-ylacetamide
CID 63300371
3-cyclohexyl-1-(piperidin-3-ylmethyl)-1-propan-2-ylurea
CID 106629886

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-pentan-3-yl-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide (CID 106637889) is N-pentan-3-yl-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-pentan-3-yl-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-pentan-3-yl-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide is CCC(CC)NC(=O)CN(CC1CCCNC1)C(C)C.
What is the InChIKey of N-pentan-3-yl-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide?
The InChIKey is RBLXVYKQPXLIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-5-15(6-2)18-16(20)12-19(13(3)4)11-14-8-7-9-17-10-14/h13-15,17H,5-12H2,1-4H3,(H,18,20).
What are the key properties of N-pentan-3-yl-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide?
N-pentan-3-yl-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide has a molecular weight of 283.46 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 106637889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).