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

C17H30N4O2 — CID 120810029

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
SMILESCC1(CN)CCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)C1
InChIInChI=1S/C17H30N4O2/c1-17(12-18)6-11-21(13-17)15(22)14-4-9-20(10-5-14)16(23)19-7-2-3-8-19/h14H,2-13,18H2,1H3
InChIKeyLJKOZCGCHDKJQP-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.11
Rot. Bonds2

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

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone (PubChem CID 120810029) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
PubChem CID120810029
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
SMILESCC1(CN)CCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)C1
InChIInChI=1S/C17H30N4O2/c1-17(12-18)6-11-21(13-17)15(22)14-4-9-20(10-5-14)16(23)19-7-2-3-8-19/h14H,2-13,18H2,1H3
InChIKeyLJKOZCGCHDKJQP-UHFFFAOYSA-N
XLogP1.11
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone (CID 120810029) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone is CC1(CN)CCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)C1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone?
The InChIKey is LJKOZCGCHDKJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-17(12-18)6-11-21(13-17)15(22)14-4-9-20(10-5-14)16(23)19-7-2-3-8-19/h14H,2-13,18H2,1H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone has a molecular weight of 322.45 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 120810029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).