[4-(aminomethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone

C11H21N3O — CID 71084950

IUPAC[4-(aminomethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
SMILESNCC1CCN(C(=O)C2CCCN2)CC1
InChIInChI=1S/C11H21N3O/c12-8-9-3-6-14(7-4-9)11(15)10-2-1-5-13-10/h9-10,13H,1-8,12H2
InChIKeyNKWXHSJNQRPNPA-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.06
Rot. Bonds2

About [4-(aminomethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone

[4-(aminomethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone (PubChem CID 71084950) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
PubChem CID71084950
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
SMILESNCC1CCN(C(=O)C2CCCN2)CC1
InChIInChI=1S/C11H21N3O/c12-8-9-3-6-14(7-4-9)11(15)10-2-1-5-13-10/h9-10,13H,1-8,12H2
InChIKeyNKWXHSJNQRPNPA-UHFFFAOYSA-N
XLogP-0.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 43133259
(4-aminopiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 131224010
(4-aminopiperidin-1-yl)-pyrrolidin-2-ylmethanone
CID 110461351
2-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
CID 54873089
(4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 94372824
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
[4-(methoxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 63978813
(4-aminopiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 154266528
[4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 119319211
1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 7175999
[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 129494191
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129393876

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone (CID 71084950) is [4-(aminomethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone is NCC1CCN(C(=O)C2CCCN2)CC1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone?
The InChIKey is NKWXHSJNQRPNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c12-8-9-3-6-14(7-4-9)11(15)10-2-1-5-13-10/h9-10,13H,1-8,12H2.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone?
[4-(aminomethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone has a molecular weight of 211.31 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 71084950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).