2-methyl-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide

C18H25N3O2 — CID 69242771

IUPAC2-methyl-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCc1ccccc1C(=O)NCC1CNC(C(=O)N2CCCC2)C1
InChIInChI=1S/C18H25N3O2/c1-13-6-2-3-7-15(13)17(22)20-12-14-10-16(19-11-14)18(23)21-8-4-5-9-21/h2-3,6-7,14,16,19H,4-5,8-12H2,1H3,(H,20,22)
InChIKeyFUQBNRPKCPQTLW-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.33
Rot. Bonds4

About 2-methyl-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide

2-methyl-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 69242771) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-methyl-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID69242771
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-methyl-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCc1ccccc1C(=O)NCC1CNC(C(=O)N2CCCC2)C1
InChIInChI=1S/C18H25N3O2/c1-13-6-2-3-7-15(13)17(22)20-12-14-10-16(19-11-14)18(23)21-8-4-5-9-21/h2-3,6-7,14,16,19H,4-5,8-12H2,1H3,(H,20,22)
InChIKeyFUQBNRPKCPQTLW-UHFFFAOYSA-N
XLogP1.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69239714
3-bromo-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69241746
2-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69241258
2-bromo-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69241009
N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 110736135
N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-3-(trifluoromethoxy)benzamide
CID 69244116
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 11659739
N-[[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 59681850
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-indole-3-carboxamide
CID 11696157
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826
N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide
CID 106128335
[(2S)-4-(phenylmethoxymethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 126509276

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 2-methyl-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide (CID 69242771) is 2-methyl-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-methyl-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 2-methyl-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide is Cc1ccccc1C(=O)NCC1CNC(C(=O)N2CCCC2)C1.
What is the InChIKey of 2-methyl-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is FUQBNRPKCPQTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-6-2-3-7-15(13)17(22)20-12-14-10-16(19-11-14)18(23)21-8-4-5-9-21/h2-3,6-7,14,16,19H,4-5,8-12H2,1H3,(H,20,22).
What are the key properties of 2-methyl-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
2-methyl-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 315.42 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 69242771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).