N-(3-methylbutyl)-2-[(1-methylpiperidin-4-yl)amino]propanamide

C14H29N3O — CID 43373502

IUPACN-(3-methylbutyl)-2-[(1-methylpiperidin-4-yl)amino]propanamide
SMILESCC(C)CCNC(=O)C(C)NC1CCN(C)CC1
InChIInChI=1S/C14H29N3O/c1-11(2)5-8-15-14(18)12(3)16-13-6-9-17(4)10-7-13/h11-13,16H,5-10H2,1-4H3,(H,15,18)
InChIKeyOZISEJJCQZSAGK-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.22
Rot. Bonds6

About N-(3-methylbutyl)-2-[(1-methylpiperidin-4-yl)amino]propanamide

N-(3-methylbutyl)-2-[(1-methylpiperidin-4-yl)amino]propanamide (PubChem CID 43373502) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[(1-methylpiperidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[(1-methylpiperidin-4-yl)amino]propanamide
PubChem CID43373502
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-(3-methylbutyl)-2-[(1-methylpiperidin-4-yl)amino]propanamide
SMILESCC(C)CCNC(=O)C(C)NC1CCN(C)CC1
InChIInChI=1S/C14H29N3O/c1-11(2)5-8-15-14(18)12(3)16-13-6-9-17(4)10-7-13/h11-13,16H,5-10H2,1-4H3,(H,15,18)
InChIKeyOZISEJJCQZSAGK-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[(1-methylpiperidin-4-yl)amino]propanamide?
The IUPAC name of N-(3-methylbutyl)-2-[(1-methylpiperidin-4-yl)amino]propanamide (CID 43373502) is N-(3-methylbutyl)-2-[(1-methylpiperidin-4-yl)amino]propanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[(1-methylpiperidin-4-yl)amino]propanamide?
The canonical SMILES for N-(3-methylbutyl)-2-[(1-methylpiperidin-4-yl)amino]propanamide is CC(C)CCNC(=O)C(C)NC1CCN(C)CC1.
What is the InChIKey of N-(3-methylbutyl)-2-[(1-methylpiperidin-4-yl)amino]propanamide?
The InChIKey is OZISEJJCQZSAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)5-8-15-14(18)12(3)16-13-6-9-17(4)10-7-13/h11-13,16H,5-10H2,1-4H3,(H,15,18).
What are the key properties of N-(3-methylbutyl)-2-[(1-methylpiperidin-4-yl)amino]propanamide?
N-(3-methylbutyl)-2-[(1-methylpiperidin-4-yl)amino]propanamide has a molecular weight of 255.41 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[(1-methylpiperidin-4-yl)amino]propanamide is sourced from PubChem (CID 43373502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).