[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone

C18H26N4O2 — CID 120809609

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
SMILESCC1(CN)CCN(C(=O)C2CCCN(C(=O)c3ccncc3)C2)C1
InChIInChI=1S/C18H26N4O2/c1-18(12-19)6-10-22(13-18)17(24)15-3-2-9-21(11-15)16(23)14-4-7-20-8-5-14/h4-5,7-8,15H,2-3,6,9-13,19H2,1H3
InChIKeyOVZGRKUAISQLBJ-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.13
Rot. Bonds3

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone (PubChem CID 120809609) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
PubChem CID120809609
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
SMILESCC1(CN)CCN(C(=O)C2CCCN(C(=O)c3ccncc3)C2)C1
InChIInChI=1S/C18H26N4O2/c1-18(12-19)6-10-22(13-18)17(24)15-3-2-9-21(11-15)16(23)14-4-7-20-8-5-14/h4-5,7-8,15H,2-3,6,9-13,19H2,1H3
InChIKeyOVZGRKUAISQLBJ-UHFFFAOYSA-N
XLogP1.13
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzoylpiperidin-4-yl)methanone
CID 120809229
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 120806071
1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 120809891
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 120809778
[4-(1-aminoethyl)piperidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 119517024
morpholin-4-yl-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 31006642
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 120815084
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[6-(azepan-1-yl)-3-pyridinyl]methanone
CID 120805277
(6R)-1,6-dimethyl-4-[(3S)-1-(pyridine-4-carbonyl)piperidine-3-carbonyl]piperazin-2-one
CID 124917954
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 120804363

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone (CID 120809609) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone is CC1(CN)CCN(C(=O)C2CCCN(C(=O)c3ccncc3)C2)C1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone?
The InChIKey is OVZGRKUAISQLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-18(12-19)6-10-22(13-18)17(24)15-3-2-9-21(11-15)16(23)14-4-7-20-8-5-14/h4-5,7-8,15H,2-3,6,9-13,19H2,1H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone has a molecular weight of 330.43 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 120809609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).