1-(furan-2-carbonyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide

C16H23N3O3 — CID 119551072

IUPAC1-(furan-2-carbonyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide
SMILESCN(C(=O)C1CCCCN1C(=O)c1ccco1)C1CCNC1
InChIInChI=1S/C16H23N3O3/c1-18(12-7-8-17-11-12)15(20)13-5-2-3-9-19(13)16(21)14-6-4-10-22-14/h4,6,10,12-13,17H,2-3,5,7-9,11H2,1H3
InChIKeyZXIMKSQGPCNDQN-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.09
Rot. Bonds3

About 1-(furan-2-carbonyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide

1-(furan-2-carbonyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide (PubChem CID 119551072) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide
PubChem CID119551072
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-(furan-2-carbonyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide
SMILESCN(C(=O)C1CCCCN1C(=O)c1ccco1)C1CCNC1
InChIInChI=1S/C16H23N3O3/c1-18(12-7-8-17-11-12)15(20)13-5-2-3-9-19(13)16(21)14-6-4-10-22-14/h4,6,10,12-13,17H,2-3,5,7-9,11H2,1H3
InChIKeyZXIMKSQGPCNDQN-UHFFFAOYSA-N
XLogP1.09
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-2-carboxamide
CID 87045075
N-methyl-1-(2-phenylacetyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
CID 119552186
3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid
CID 119232964
1-(furan-2-carbonyl)-N-methyl-N-(1H-pyrazol-4-yl)piperidine-2-carboxamide
CID 165343506
(2S)-N-[(2S)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 94815039
tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 81002523
5-[[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222428
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 55973868
tert-butyl 4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazine-1-carboxylate
CID 55975170
N-[(5-bromothiophen-2-yl)methyl]-1-(furan-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 55369644
2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 119254206
N-ethyl-1-(furan-2-carbonyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-2-carboxamide
CID 55965355

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide (CID 119551072) is 1-(furan-2-carbonyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide is CN(C(=O)C1CCCCN1C(=O)c1ccco1)C1CCNC1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide?
The InChIKey is ZXIMKSQGPCNDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-18(12-7-8-17-11-12)15(20)13-5-2-3-9-19(13)16(21)14-6-4-10-22-14/h4,6,10,12-13,17H,2-3,5,7-9,11H2,1H3.
What are the key properties of 1-(furan-2-carbonyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide?
1-(furan-2-carbonyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide is sourced from PubChem (CID 119551072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).