1-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

C16H28N4O3 — CID 108800270

IUPAC1-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESCN(C)CCCN1CC(C(=O)N2CCC(C(N)=O)CC2)CC1=O
InChIInChI=1S/C16H28N4O3/c1-18(2)6-3-7-20-11-13(10-14(20)21)16(23)19-8-4-12(5-9-19)15(17)22/h12-13H,3-11H2,1-2H3,(H2,17,22)
InChIKeyDPRMQVUILASYBL-UHFFFAOYSA-N
MW324.43 g/mol
LogP-0.49
Rot. Bonds6

About 1-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

1-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 108800270) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
PubChem CID108800270
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name1-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESCN(C)CCCN1CC(C(=O)N2CCC(C(N)=O)CC2)CC1=O
InChIInChI=1S/C16H28N4O3/c1-18(2)6-3-7-20-11-13(10-14(20)21)16(23)19-8-4-12(5-9-19)15(17)22/h12-13H,3-11H2,1-2H3,(H2,17,22)
InChIKeyDPRMQVUILASYBL-UHFFFAOYSA-N
XLogP-0.49
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 735293
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 120819697
1-[3-(dimethylamino)propyl]-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108809946
4-(4-aminopiperidine-1-carbonyl)-1-propylpyrrolidin-2-one
CID 82042053
4-(1,4-diazepane-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 119416484
4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-[3-(dimethylamino)propyl]pyrrolidin-2-one
CID 108809960
(4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9398589
1-[3-(dimethylamino)propyl]-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 108809969
ethyl 4-(5-oxo-1-pentylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 113185693
(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97150099
(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95128434
N,N-dimethyl-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 110346275

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide (CID 108800270) is 1-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide is CN(C)CCCN1CC(C(=O)N2CCC(C(N)=O)CC2)CC1=O.
What is the InChIKey of 1-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is DPRMQVUILASYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-18(2)6-3-7-20-11-13(10-14(20)21)16(23)19-8-4-12(5-9-19)15(17)22/h12-13H,3-11H2,1-2H3,(H2,17,22).
What are the key properties of 1-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
1-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of -0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 108800270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).