1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride

C19H28ClN3O2 — CID 119487183

IUPAC1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)C2CCCN(C(=O)Cc3ccccc3)C2)C1
InChIInChI=1S/C19H27N3O2.ClH/c20-12-16-8-10-22(13-16)19(24)17-7-4-9-21(14-17)18(23)11-15-5-2-1-3-6-15;/h1-3,5-6,16-17H,4,7-14,20H2;1H
InChIKeyGRPQGXWSXSBALH-UHFFFAOYSA-N
MW365.91 g/mol
LogP1.70
Rot. Bonds4

About 1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride

1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride (PubChem CID 119487183) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
PubChem CID119487183
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)C2CCCN(C(=O)Cc3ccccc3)C2)C1
InChIInChI=1S/C19H27N3O2.ClH/c20-12-16-8-10-22(13-16)19(24)17-7-4-9-21(14-17)18(23)11-15-5-2-1-3-6-15;/h1-3,5-6,16-17H,4,7-14,20H2;1H
InChIKeyGRPQGXWSXSBALH-UHFFFAOYSA-N
XLogP1.70
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119465087
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119469695
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
1-[3-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119520839
1-[3-(1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 119418627
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 113005998
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260304
1-[3-(4-benzoyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 78861461
1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
CID 3296338
(3S,4S)-4-methyl-1-[1-(2-phenylacetyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120952273
1-[2-[4-(aminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride
CID 119423409
[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260151

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride?
The IUPAC name of 1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride (CID 119487183) is 1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride.
What is the SMILES notation for 1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride?
The canonical SMILES for 1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride is Cl.NCC1CCN(C(=O)C2CCCN(C(=O)Cc3ccccc3)C2)C1.
What is the InChIKey of 1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride?
The InChIKey is GRPQGXWSXSBALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c20-12-16-8-10-22(13-16)19(24)17-7-4-9-21(14-17)18(23)11-15-5-2-1-3-6-15;/h1-3,5-6,16-17H,4,7-14,20H2;1H.
What are the key properties of 1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride?
1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride is sourced from PubChem (CID 119487183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).