N'-(3-methylpiperidin-4-yl)-N-propylpentanediamide

C14H27N3O2 — CID 120554463

IUPACN'-(3-methylpiperidin-4-yl)-N-propylpentanediamide
SMILESCCCNC(=O)CCCC(=O)NC1CCNCC1C
InChIInChI=1S/C14H27N3O2/c1-3-8-16-13(18)5-4-6-14(19)17-12-7-9-15-10-11(12)2/h11-12,15H,3-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyFASVMTNAYSHAAR-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.80
Rot. Bonds7

About N'-(3-methylpiperidin-4-yl)-N-propylpentanediamide

N'-(3-methylpiperidin-4-yl)-N-propylpentanediamide (PubChem CID 120554463) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N'-(3-methylpiperidin-4-yl)-N-propylpentanediamide.

Molecular Properties

Compound NameN'-(3-methylpiperidin-4-yl)-N-propylpentanediamide
PubChem CID120554463
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN'-(3-methylpiperidin-4-yl)-N-propylpentanediamide
SMILESCCCNC(=O)CCCC(=O)NC1CCNCC1C
InChIInChI=1S/C14H27N3O2/c1-3-8-16-13(18)5-4-6-14(19)17-12-7-9-15-10-11(12)2/h11-12,15H,3-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyFASVMTNAYSHAAR-UHFFFAOYSA-N
XLogP0.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride
CID 120557551
N-(3-methylpiperidin-4-yl)decanamide
CID 79886452
N-(3-methylpiperidin-4-yl)-N',N'-dipropylpentanediamide
CID 120557827
N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybutanamide;hydrochloride
CID 120556581
N-(4-methylpiperidin-3-yl)nonanamide
CID 65449508
4-fluoro-N-[4-[(3-methylpiperidin-4-yl)amino]-4-oxobutyl]benzamide;hydrochloride
CID 120554428
N-(3-methylpiperidin-4-yl)-2-pentylsulfonylacetamide
CID 120556023
2-(diethylamino)-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120553416
3-cyclopentyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride
CID 120554749
4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide
CID 120555351
4-(2,5-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide
CID 120553639
N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride
CID 120553973

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylpiperidin-4-yl)-N-propylpentanediamide?
The IUPAC name of N'-(3-methylpiperidin-4-yl)-N-propylpentanediamide (CID 120554463) is N'-(3-methylpiperidin-4-yl)-N-propylpentanediamide.
What is the SMILES notation for N'-(3-methylpiperidin-4-yl)-N-propylpentanediamide?
The canonical SMILES for N'-(3-methylpiperidin-4-yl)-N-propylpentanediamide is CCCNC(=O)CCCC(=O)NC1CCNCC1C.
What is the InChIKey of N'-(3-methylpiperidin-4-yl)-N-propylpentanediamide?
The InChIKey is FASVMTNAYSHAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-8-16-13(18)5-4-6-14(19)17-12-7-9-15-10-11(12)2/h11-12,15H,3-10H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(3-methylpiperidin-4-yl)-N-propylpentanediamide?
N'-(3-methylpiperidin-4-yl)-N-propylpentanediamide has a molecular weight of 269.39 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylpiperidin-4-yl)-N-propylpentanediamide is sourced from PubChem (CID 120554463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).