N-tert-butyl-2-[cyclopropyl(piperidin-2-ylmethyl)amino]propanamide

C16H31N3O — CID 106631536

IUPACN-tert-butyl-2-[cyclopropyl(piperidin-2-ylmethyl)amino]propanamide
SMILESCC(C(=O)NC(C)(C)C)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C16H31N3O/c1-12(15(20)18-16(2,3)4)19(14-8-9-14)11-13-7-5-6-10-17-13/h12-14,17H,5-11H2,1-4H3,(H,18,20)
InChIKeyIZNBKGKMIFYTAC-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.90
Rot. Bonds5

About N-tert-butyl-2-[cyclopropyl(piperidin-2-ylmethyl)amino]propanamide

N-tert-butyl-2-[cyclopropyl(piperidin-2-ylmethyl)amino]propanamide (PubChem CID 106631536) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-tert-butyl-2-[cyclopropyl(piperidin-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[cyclopropyl(piperidin-2-ylmethyl)amino]propanamide
PubChem CID106631536
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-tert-butyl-2-[cyclopropyl(piperidin-2-ylmethyl)amino]propanamide
SMILESCC(C(=O)NC(C)(C)C)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C16H31N3O/c1-12(15(20)18-16(2,3)4)19(14-8-9-14)11-13-7-5-6-10-17-13/h12-14,17H,5-11H2,1-4H3,(H,18,20)
InChIKeyIZNBKGKMIFYTAC-UHFFFAOYSA-N
XLogP1.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(3-methoxypropyl)propanamide
CID 106631734
2-[cyclopropyl(piperidin-2-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106631682
tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate
CID 96555647
3-tert-butyl-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629792
N-tert-butyl-2-(piperidin-2-ylmethoxy)propanamide
CID 62341255
2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N-tert-butylpropanamide
CID 54997777
2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 106599799
N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
N-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621648
N-pentan-2-yl-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621821
N-tert-butyl-2-piperidin-2-ylacetamide
CID 43151334
2-[3-aminopropyl(cyclohexyl)amino]-N-tert-butylpropanamide
CID 43137650

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[cyclopropyl(piperidin-2-ylmethyl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[cyclopropyl(piperidin-2-ylmethyl)amino]propanamide (CID 106631536) is N-tert-butyl-2-[cyclopropyl(piperidin-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[cyclopropyl(piperidin-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[cyclopropyl(piperidin-2-ylmethyl)amino]propanamide is CC(C(=O)NC(C)(C)C)N(CC1CCCCN1)C1CC1.
What is the InChIKey of N-tert-butyl-2-[cyclopropyl(piperidin-2-ylmethyl)amino]propanamide?
The InChIKey is IZNBKGKMIFYTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12(15(20)18-16(2,3)4)19(14-8-9-14)11-13-7-5-6-10-17-13/h12-14,17H,5-11H2,1-4H3,(H,18,20).
What are the key properties of N-tert-butyl-2-[cyclopropyl(piperidin-2-ylmethyl)amino]propanamide?
N-tert-butyl-2-[cyclopropyl(piperidin-2-ylmethyl)amino]propanamide has a molecular weight of 281.44 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[cyclopropyl(piperidin-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 106631536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).