N'-methyl-N'-piperidin-4-yl-N-propan-2-ylpentanediamide

C14H27N3O2 — CID 119442340

IUPACN'-methyl-N'-piperidin-4-yl-N-propan-2-ylpentanediamide
SMILESCC(C)NC(=O)CCCC(=O)N(C)C1CCNCC1
InChIInChI=1S/C14H27N3O2/c1-11(2)16-13(18)5-4-6-14(19)17(3)12-7-9-15-10-8-12/h11-12,15H,4-10H2,1-3H3,(H,16,18)
InChIKeyTYKVUJMIUQDEGR-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.89
Rot. Bonds6

About N'-methyl-N'-piperidin-4-yl-N-propan-2-ylpentanediamide

N'-methyl-N'-piperidin-4-yl-N-propan-2-ylpentanediamide (PubChem CID 119442340) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N'-methyl-N'-piperidin-4-yl-N-propan-2-ylpentanediamide.

Molecular Properties

Compound NameN'-methyl-N'-piperidin-4-yl-N-propan-2-ylpentanediamide
PubChem CID119442340
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN'-methyl-N'-piperidin-4-yl-N-propan-2-ylpentanediamide
SMILESCC(C)NC(=O)CCCC(=O)N(C)C1CCNCC1
InChIInChI=1S/C14H27N3O2/c1-11(2)16-13(18)5-4-6-14(19)17(3)12-7-9-15-10-8-12/h11-12,15H,4-10H2,1-3H3,(H,16,18)
InChIKeyTYKVUJMIUQDEGR-UHFFFAOYSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-piperidin-4-ylheptanamide
CID 115736784
2-hydroxy-N-methyl-N-piperidin-4-ylacetamide
CID 89098845
N-(azepan-4-yl)-4-methoxy-N-methylbutanamide
CID 104974697
N'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride
CID 119451129
3-cyclopropyl-N-methyl-N-piperidin-4-ylpropanamide
CID 119441464
N-piperidin-3-yl-N'-propan-2-ylpentanediamide
CID 119425960
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide
CID 119550914
N-methyl-3-methylsulfonyl-N-piperidin-4-ylpropanamide
CID 61003895
N-methyl-4-(4-methylphenyl)-N-piperidin-4-ylbutanamide
CID 119443928
2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide
CID 103983310
3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 103209354
2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 104979554

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-piperidin-4-yl-N-propan-2-ylpentanediamide?
The IUPAC name of N'-methyl-N'-piperidin-4-yl-N-propan-2-ylpentanediamide (CID 119442340) is N'-methyl-N'-piperidin-4-yl-N-propan-2-ylpentanediamide.
What is the SMILES notation for N'-methyl-N'-piperidin-4-yl-N-propan-2-ylpentanediamide?
The canonical SMILES for N'-methyl-N'-piperidin-4-yl-N-propan-2-ylpentanediamide is CC(C)NC(=O)CCCC(=O)N(C)C1CCNCC1.
What is the InChIKey of N'-methyl-N'-piperidin-4-yl-N-propan-2-ylpentanediamide?
The InChIKey is TYKVUJMIUQDEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(2)16-13(18)5-4-6-14(19)17(3)12-7-9-15-10-8-12/h11-12,15H,4-10H2,1-3H3,(H,16,18).
What are the key properties of N'-methyl-N'-piperidin-4-yl-N-propan-2-ylpentanediamide?
N'-methyl-N'-piperidin-4-yl-N-propan-2-ylpentanediamide has a molecular weight of 269.39 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-piperidin-4-yl-N-propan-2-ylpentanediamide is sourced from PubChem (CID 119442340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).