N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide

C20H29N5O2 — CID 134702967

IUPACN-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1c(NC(=O)C2CCN(Cc3ccco3)CC2)c(N2CCCC2)nn1C
InChIInChI=1S/C20H29N5O2/c1-15-18(19(22-23(15)2)25-9-3-4-10-25)21-20(26)16-7-11-24(12-8-16)14-17-6-5-13-27-17/h5-6,13,16H,3-4,7-12,14H2,1-2H3,(H,21,26)
InChIKeyGCSJQNGIGBLKQF-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.77
Rot. Bonds5

About N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide

N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 134702967) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID134702967
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1c(NC(=O)C2CCN(Cc3ccco3)CC2)c(N2CCCC2)nn1C
InChIInChI=1S/C20H29N5O2/c1-15-18(19(22-23(15)2)25-9-3-4-10-25)21-20(26)16-7-11-24(12-8-16)14-17-6-5-13-27-17/h5-6,13,16H,3-4,7-12,14H2,1-2H3,(H,21,26)
InChIKeyGCSJQNGIGBLKQF-UHFFFAOYSA-N
XLogP2.77
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 134698283
N-(2-ethylsulfanylphenyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 131949045
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 91775679
1-(furan-2-ylmethyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]piperidine-4-carboxamide
CID 91769477
N-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 72887195
(4aR,6S,8aR)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide;dihydrochloride
CID 163334928
N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 157019045
N-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 46053995
1-(furan-2-ylmethyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 24793063
2-(2-chlorophenyl)-2-[[1-(furan-2-ylmethyl)piperidine-4-carbonyl]amino]acetic acid
CID 72862619
1-(furan-2-ylmethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 72921894
1-(furan-2-ylmethyl)-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)piperidine-3-carboxamide
CID 157016422

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 134702967) is N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide is Cc1c(NC(=O)C2CCN(Cc3ccco3)CC2)c(N2CCCC2)nn1C.
What is the InChIKey of N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is GCSJQNGIGBLKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-15-18(19(22-23(15)2)25-9-3-4-10-25)21-20(26)16-7-11-24(12-8-16)14-17-6-5-13-27-17/h5-6,13,16H,3-4,7-12,14H2,1-2H3,(H,21,26).
What are the key properties of N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide?
N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 134702967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).