4-hydroxy-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride

C14H29Cl2N3O2 — CID 119861445

IUPAC4-hydroxy-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCCCN1CCC(CNC(=O)C2CC(O)CN2)CC1.Cl.Cl
InChIInChI=1S/C14H27N3O2.2ClH/c1-2-5-17-6-3-11(4-7-17)9-16-14(19)13-8-12(18)10-15-13;;/h11-13,15,18H,2-10H2,1H3,(H,16,19);2*1H
InChIKeyVVLDXFPJLCUUJZ-UHFFFAOYSA-N
MW342.31 g/mol
LogP0.79
Rot. Bonds5

About 4-hydroxy-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride

4-hydroxy-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119861445) has the molecular formula C14H29Cl2N3O2 and a molecular weight of 342.31 g/mol. Its IUPAC name is 4-hydroxy-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119861445
Molecular FormulaC14H29Cl2N3O2
Molecular Weight342.31 g/mol
Exact Mass341.16
IUPAC Name4-hydroxy-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCCCN1CCC(CNC(=O)C2CC(O)CN2)CC1.Cl.Cl
InChIInChI=1S/C14H27N3O2.2ClH/c1-2-5-17-6-3-11(4-7-17)9-16-14(19)13-8-12(18)10-15-13;;/h11-13,15,18H,2-10H2,1H3,(H,16,19);2*1H
InChIKeyVVLDXFPJLCUUJZ-UHFFFAOYSA-N
XLogP0.79
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119834916
N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 131159808
4-hydroxy-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119756559
4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 60856640
4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119860703
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
(2R,4S)-4-hydroxy-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 94229368
2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119861461
N-[(2,2-dimethylcyclopropyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119785412
4-hydroxy-N-octylpyrrolidine-2-carboxamide
CID 113337253
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide
CID 114428843
(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide
CID 119861450

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of 4-hydroxy-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 119861445) is 4-hydroxy-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 4-hydroxy-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for 4-hydroxy-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride is CCCN1CCC(CNC(=O)C2CC(O)CN2)CC1.Cl.Cl.
What is the InChIKey of 4-hydroxy-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is VVLDXFPJLCUUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.2ClH/c1-2-5-17-6-3-11(4-7-17)9-16-14(19)13-8-12(18)10-15-13;;/h11-13,15,18H,2-10H2,1H3,(H,16,19);2*1H.
What are the key properties of 4-hydroxy-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride?
4-hydroxy-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 342.31 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119861445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).