3-hydroxy-1-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride

C13H27Cl2N3O2 — CID 167853622

IUPAC3-hydroxy-1-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1(O)CCN(CCCN2CCCCC2)C1
InChIInChI=1S/C13H25N3O2.2ClH/c14-12(17)13(18)5-10-16(11-13)9-4-8-15-6-2-1-3-7-15;;/h18H,1-11H2,(H2,14,17);2*1H
InChIKeyVGOQBRCEMCFTAD-UHFFFAOYSA-N
MW328.28 g/mol
LogP0.63
Rot. Bonds5

About 3-hydroxy-1-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride

3-hydroxy-1-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 167853622) has the molecular formula C13H27Cl2N3O2 and a molecular weight of 328.28 g/mol. Its IUPAC name is 3-hydroxy-1-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-hydroxy-1-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID167853622
Molecular FormulaC13H27Cl2N3O2
Molecular Weight328.28 g/mol
Exact Mass327.15
IUPAC Name3-hydroxy-1-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1(O)CCN(CCCN2CCCCC2)C1
InChIInChI=1S/C13H25N3O2.2ClH/c14-12(17)13(18)5-10-16(11-13)9-4-8-15-6-2-1-3-7-15;;/h18H,1-11H2,(H2,14,17);2*1H
InChIKeyVGOQBRCEMCFTAD-UHFFFAOYSA-N
XLogP0.63
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-difluoroethyl)-3-hydroxypyrrolidine-3-carboxamide
CID 130538433
(3S)-3-hydroxy-1-[2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide
CID 129322827
carbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 70077869
3-hydroxy-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 128964482
1-(cyanomethyl)-3-hydroxypiperidine-3-carboxamide
CID 130535820
4-ethynyl-1-(3-piperidin-1-ylpropyl)piperidin-4-ol
CID 126822571
2-(1-methylcyclobutyl)-5-piperidin-1-ylpentanamide
CID 129204889
11-pyrrolidin-1-ylundecanamide
CID 175975624
1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119831195
6-(3,3-dimethylpiperidin-1-yl)hexanamide
CID 176680347
2-pyrrolidin-1-ylethyl 1-hydroxycycloheptane-1-carboxylate
CID 3046846
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of 3-hydroxy-1-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride (CID 167853622) is 3-hydroxy-1-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 3-hydroxy-1-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for 3-hydroxy-1-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride is Cl.Cl.NC(=O)C1(O)CCN(CCCN2CCCCC2)C1.
What is the InChIKey of 3-hydroxy-1-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is VGOQBRCEMCFTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.2ClH/c14-12(17)13(18)5-10-16(11-13)9-4-8-15-6-2-1-3-7-15;;/h18H,1-11H2,(H2,14,17);2*1H.
What are the key properties of 3-hydroxy-1-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride?
3-hydroxy-1-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 328.28 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 167853622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).