(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride

C18H33ClN4O2 — CID 120820032

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
SMILESCC1(C)CN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)CCC1N.Cl
InChIInChI=1S/C18H32N4O2.ClH/c1-18(2)13-22(12-7-15(18)19)16(23)14-5-10-21(11-6-14)17(24)20-8-3-4-9-20;/h14-15H,3-13,19H2,1-2H3;1H
InChIKeyOSWWDFFCNZFVIO-UHFFFAOYSA-N
MW372.94 g/mol
LogP1.92
Rot. Bonds1

About (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride (PubChem CID 120820032) has the molecular formula C18H33ClN4O2 and a molecular weight of 372.94 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
PubChem CID120820032
Molecular FormulaC18H33ClN4O2
Molecular Weight372.94 g/mol
Exact Mass372.23
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
SMILESCC1(C)CN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)CCC1N.Cl
InChIInChI=1S/C18H32N4O2.ClH/c1-18(2)13-22(12-7-15(18)19)16(23)14-5-10-21(11-6-14)17(24)20-8-3-4-9-20;/h14-15H,3-13,19H2,1-2H3;1H
InChIKeyOSWWDFFCNZFVIO-UHFFFAOYSA-N
XLogP1.92
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride with MolForge

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride
CID 120818837
(4-amino-3,3-dimethylpiperidin-1-yl)-(thian-4-yl)methanone
CID 120819844
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 120819466
(4-amino-3,3-dimethylpiperidin-1-yl)-(7-bicyclo[4.1.0]heptanyl)methanone
CID 120820176
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-4-yl]methanone;hydrochloride
CID 120816101
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-methylpyrrolidin-2-one
CID 120816794
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 120815084
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone
CID 120817727
methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate
CID 115269783
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 120815594
tert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride
CID 131637058
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 120819697

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride (CID 120820032) is (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride is CC1(C)CN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)CCC1N.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride?
The InChIKey is OSWWDFFCNZFVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2.ClH/c1-18(2)13-22(12-7-15(18)19)16(23)14-5-10-21(11-6-14)17(24)20-8-3-4-9-20;/h14-15H,3-13,19H2,1-2H3;1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride has a molecular weight of 372.94 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 120820032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).