4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide

C18H27N3O2 — CID 122559036

IUPAC4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
SMILESCOC1CCN(C(=O)NCC2CCN(c3ccccc3)C2)CC1
InChIInChI=1S/C18H27N3O2/c1-23-17-8-11-20(12-9-17)18(22)19-13-15-7-10-21(14-15)16-5-3-2-4-6-16/h2-6,15,17H,7-14H2,1H3,(H,19,22)
InChIKeySBGSDNGMGCHUEE-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.33
Rot. Bonds4

About 4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide

4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 122559036) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
PubChem CID122559036
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
SMILESCOC1CCN(C(=O)NCC2CCN(c3ccccc3)C2)CC1
InChIInChI=1S/C18H27N3O2/c1-23-17-8-11-20(12-9-17)18(22)19-13-15-7-10-21(14-15)16-5-3-2-4-6-16/h2-6,15,17H,7-14H2,1H3,(H,19,22)
InChIKeySBGSDNGMGCHUEE-UHFFFAOYSA-N
XLogP2.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-acetylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide
CID 55809651
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 125444699
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
CID 110640322
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 166217219
N'-methyl-4-phenoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109426757
(3R)-3-(hydroxymethyl)-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide
CID 98763526
1-N,1-N-dimethyl-4-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,4-dicarboxamide
CID 55701826
N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94119525
(2S)-2-cyclopentyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide
CID 98786419
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine-1-carboxamide
CID 166184698

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide (CID 122559036) is 4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide is COC1CCN(C(=O)NCC2CCN(c3ccccc3)C2)CC1.
What is the InChIKey of 4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is SBGSDNGMGCHUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-23-17-8-11-20(12-9-17)18(22)19-13-15-7-10-21(14-15)16-5-3-2-4-6-16/h2-6,15,17H,7-14H2,1H3,(H,19,22).
What are the key properties of 4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide?
4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 122559036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).