N-methyl-4-[piperidin-4-ylmethyl(propan-2-yl)amino]butanamide

C14H29N3O — CID 79714818

IUPACN-methyl-4-[piperidin-4-ylmethyl(propan-2-yl)amino]butanamide
SMILESCNC(=O)CCCN(CC1CCNCC1)C(C)C
InChIInChI=1S/C14H29N3O/c1-12(2)17(10-4-5-14(18)15-3)11-13-6-8-16-9-7-13/h12-13,16H,4-11H2,1-3H3,(H,15,18)
InChIKeyIJHOOIUJYUUGFR-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.22
Rot. Bonds7

About N-methyl-4-[piperidin-4-ylmethyl(propan-2-yl)amino]butanamide

N-methyl-4-[piperidin-4-ylmethyl(propan-2-yl)amino]butanamide (PubChem CID 79714818) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-methyl-4-[piperidin-4-ylmethyl(propan-2-yl)amino]butanamide.

Molecular Properties

Compound NameN-methyl-4-[piperidin-4-ylmethyl(propan-2-yl)amino]butanamide
PubChem CID79714818
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-methyl-4-[piperidin-4-ylmethyl(propan-2-yl)amino]butanamide
SMILESCNC(=O)CCCN(CC1CCNCC1)C(C)C
InChIInChI=1S/C14H29N3O/c1-12(2)17(10-4-5-14(18)15-3)11-13-6-8-16-9-7-13/h12-13,16H,4-11H2,1-3H3,(H,15,18)
InChIKeyIJHOOIUJYUUGFR-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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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Related Compounds

N-(3-methylbutan-2-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]acetamide
CID 79714649
3-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 103411120
(2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol
CID 106933609
2-[piperidin-4-ylmethyl(propan-2-yl)amino]-N-(propylcarbamoyl)acetamide
CID 79704024
4-[[3-(methylamino)-3-oxopropyl]-propan-2-ylamino]butanoic acid
CID 62324292
4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpentanamide
CID 79720418
N-(2-ethoxyethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79713909
N-methyl-3-[methyl-(2-piperidin-4-ylacetyl)amino]propanamide;hydrochloride
CID 119772573
2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 79713998
ethyl N-(piperidin-4-ylmethyl)-N-propan-2-ylcarbamate
CID 79721032
N-cyclopropyl-3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanamide
CID 106637897
2-ethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbutan-1-amine
CID 79716141

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[piperidin-4-ylmethyl(propan-2-yl)amino]butanamide?
The IUPAC name of N-methyl-4-[piperidin-4-ylmethyl(propan-2-yl)amino]butanamide (CID 79714818) is N-methyl-4-[piperidin-4-ylmethyl(propan-2-yl)amino]butanamide.
What is the SMILES notation for N-methyl-4-[piperidin-4-ylmethyl(propan-2-yl)amino]butanamide?
The canonical SMILES for N-methyl-4-[piperidin-4-ylmethyl(propan-2-yl)amino]butanamide is CNC(=O)CCCN(CC1CCNCC1)C(C)C.
What is the InChIKey of N-methyl-4-[piperidin-4-ylmethyl(propan-2-yl)amino]butanamide?
The InChIKey is IJHOOIUJYUUGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-12(2)17(10-4-5-14(18)15-3)11-13-6-8-16-9-7-13/h12-13,16H,4-11H2,1-3H3,(H,15,18).
What are the key properties of N-methyl-4-[piperidin-4-ylmethyl(propan-2-yl)amino]butanamide?
N-methyl-4-[piperidin-4-ylmethyl(propan-2-yl)amino]butanamide has a molecular weight of 255.41 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[piperidin-4-ylmethyl(propan-2-yl)amino]butanamide is sourced from PubChem (CID 79714818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).