N,N-diethyl-N'-piperidin-4-yl-N'-propylpentanediamide

C17H33N3O2 — CID 119823717

IUPACN,N-diethyl-N'-piperidin-4-yl-N'-propylpentanediamide
SMILESCCCN(C(=O)CCCC(=O)N(CC)CC)C1CCNCC1
InChIInChI=1S/C17H33N3O2/c1-4-14-20(15-10-12-18-13-11-15)17(22)9-7-8-16(21)19(5-2)6-3/h15,18H,4-14H2,1-3H3
InChIKeyVYBLJGIAUABZIY-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.02
Rot. Bonds9

About N,N-diethyl-N'-piperidin-4-yl-N'-propylpentanediamide

N,N-diethyl-N'-piperidin-4-yl-N'-propylpentanediamide (PubChem CID 119823717) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N,N-diethyl-N'-piperidin-4-yl-N'-propylpentanediamide.

Molecular Properties

Compound NameN,N-diethyl-N'-piperidin-4-yl-N'-propylpentanediamide
PubChem CID119823717
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN,N-diethyl-N'-piperidin-4-yl-N'-propylpentanediamide
SMILESCCCN(C(=O)CCCC(=O)N(CC)CC)C1CCNCC1
InChIInChI=1S/C17H33N3O2/c1-4-14-20(15-10-12-18-13-11-15)17(22)9-7-8-16(21)19(5-2)6-3/h15,18H,4-14H2,1-3H3
InChIKeyVYBLJGIAUABZIY-UHFFFAOYSA-N
XLogP2.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-4-yl-N-propylhexanamide
CID 60807623
5-methoxy-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119531804
5-(4-methylphenyl)-N-piperidin-4-yl-N-propylpentanamide
CID 119823684
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide
CID 119550914
3-methylsulfonyl-N-piperidin-4-yl-N-propylpropanamide
CID 54895477
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
N-piperidin-3-yl-N-propyldecanamide
CID 65450246
4-cyclopentyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119533250
4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide
CID 119824702
N,N-diethyl-4-[ethyl(piperidin-4-ylmethyl)amino]butanamide
CID 79717040
N',N'-diethyl-N-piperidin-4-ylpentanediamide
CID 119386732
2-[ethyl-[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
CID 61408551

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-piperidin-4-yl-N'-propylpentanediamide?
The IUPAC name of N,N-diethyl-N'-piperidin-4-yl-N'-propylpentanediamide (CID 119823717) is N,N-diethyl-N'-piperidin-4-yl-N'-propylpentanediamide.
What is the SMILES notation for N,N-diethyl-N'-piperidin-4-yl-N'-propylpentanediamide?
The canonical SMILES for N,N-diethyl-N'-piperidin-4-yl-N'-propylpentanediamide is CCCN(C(=O)CCCC(=O)N(CC)CC)C1CCNCC1.
What is the InChIKey of N,N-diethyl-N'-piperidin-4-yl-N'-propylpentanediamide?
The InChIKey is VYBLJGIAUABZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-4-14-20(15-10-12-18-13-11-15)17(22)9-7-8-16(21)19(5-2)6-3/h15,18H,4-14H2,1-3H3.
What are the key properties of N,N-diethyl-N'-piperidin-4-yl-N'-propylpentanediamide?
N,N-diethyl-N'-piperidin-4-yl-N'-propylpentanediamide has a molecular weight of 311.47 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-piperidin-4-yl-N'-propylpentanediamide is sourced from PubChem (CID 119823717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).