N-methyl-4-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide

C14H27N3O — CID 66271101

IUPACN-methyl-4-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide
SMILESCNC(=O)CCCN1CCCC1C1CCNCC1
InChIInChI=1S/C14H27N3O/c1-15-14(18)5-3-11-17-10-2-4-13(17)12-6-8-16-9-7-12/h12-13,16H,2-11H2,1H3,(H,15,18)
InChIKeyNYMZWPTYXXZMMQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.98
Rot. Bonds5

About N-methyl-4-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide

N-methyl-4-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide (PubChem CID 66271101) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-methyl-4-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-methyl-4-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide
PubChem CID66271101
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-methyl-4-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide
SMILESCNC(=O)CCCN1CCCC1C1CCNCC1
InChIInChI=1S/C14H27N3O/c1-15-14(18)5-3-11-17-10-2-4-13(17)12-6-8-16-9-7-12/h12-13,16H,2-11H2,1H3,(H,15,18)
InChIKeyNYMZWPTYXXZMMQ-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-(2-piperidin-4-ylpyrrolidin-1-yl)propanamide
CID 66271525
methyl 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanoate
CID 65319761
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]hexan-3-one
CID 106801610
N-carbamoyl-2-(2-piperidin-4-ylpyrrolidin-1-yl)acetamide
CID 66273874
1-(3-methoxypropyl)-2-piperidin-4-ylazepane
CID 64852585
methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115537915
4-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-methylbutanamide
CID 82736832
5-(2-cyclopentylpyrrolidin-1-yl)-N-methylpentan-1-amine
CID 55073555
methyl 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)butanoate
CID 78967455
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106805876
1-(2-ethylsulfonylethyl)-2-piperidin-4-ylazepane
CID 64852031
2-methyl-1-[4-(methylamino)-4-oxobutyl]piperidine-4-carboxylic acid
CID 106745125

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide?
The IUPAC name of N-methyl-4-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide (CID 66271101) is N-methyl-4-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-methyl-4-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide?
The canonical SMILES for N-methyl-4-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide is CNC(=O)CCCN1CCCC1C1CCNCC1.
What is the InChIKey of N-methyl-4-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide?
The InChIKey is NYMZWPTYXXZMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-15-14(18)5-3-11-17-10-2-4-13(17)12-6-8-16-9-7-12/h12-13,16H,2-11H2,1H3,(H,15,18).
What are the key properties of N-methyl-4-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide?
N-methyl-4-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide has a molecular weight of 253.39 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide is sourced from PubChem (CID 66271101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).