4-hydroxy-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide;dihydrochloride

C15H31Cl2N3O2 — CID 119852622

IUPAC4-hydroxy-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCC1CCCCN1CCCCNC(=O)C1CC(O)CN1.Cl.Cl
InChIInChI=1S/C15H29N3O2.2ClH/c1-12-6-2-4-8-18(12)9-5-3-7-16-15(20)14-10-13(19)11-17-14;;/h12-14,17,19H,2-11H2,1H3,(H,16,20);2*1H
InChIKeyKDHXUYQLHXMYMM-UHFFFAOYSA-N
MW356.34 g/mol
LogP1.32
Rot. Bonds6

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

4-hydroxy-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119852622) has the molecular formula C15H31Cl2N3O2 and a molecular weight of 356.34 g/mol. Its IUPAC name is 4-hydroxy-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119852622
Molecular FormulaC15H31Cl2N3O2
Molecular Weight356.34 g/mol
Exact Mass355.18
IUPAC Name4-hydroxy-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCC1CCCCN1CCCCNC(=O)C1CC(O)CN1.Cl.Cl
InChIInChI=1S/C15H29N3O2.2ClH/c1-12-6-2-4-8-18(12)9-5-3-7-16-15(20)14-10-13(19)11-17-14;;/h12-14,17,19H,2-11H2,1H3,(H,16,20);2*1H
InChIKeyKDHXUYQLHXMYMM-UHFFFAOYSA-N
XLogP1.32
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide
CID 61214890
4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide
CID 114422620
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
6-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide
CID 24710095
N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119850930
(2R,4S)-4-hydroxy-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 94229368
N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 115738030
4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119860703
N-[4-(diethylamino)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119852549
4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide
CID 61275212
4-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 62782327
1-(2-hydroxycyclohexyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea
CID 110933279

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of 4-hydroxy-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 119852622) is 4-hydroxy-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 4-hydroxy-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for 4-hydroxy-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide;dihydrochloride is CC1CCCCN1CCCCNC(=O)C1CC(O)CN1.Cl.Cl.
What is the InChIKey of 4-hydroxy-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is KDHXUYQLHXMYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2.2ClH/c1-12-6-2-4-8-18(12)9-5-3-7-16-15(20)14-10-13(19)11-17-14;;/h12-14,17,19H,2-11H2,1H3,(H,16,20);2*1H.
What are the key properties of 4-hydroxy-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide;dihydrochloride?
4-hydroxy-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 356.34 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119852622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).