N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride

C21H36Cl2N4O — CID 119846231

IUPACN-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC1CCN(c2ccc(CNC(=O)CC(C)C3CCCNC3)cn2)CC1.Cl.Cl
InChIInChI=1S/C21H34N4O.2ClH/c1-16-7-10-25(11-8-16)20-6-5-18(13-23-20)14-24-21(26)12-17(2)19-4-3-9-22-15-19;;/h5-6,13,16-17,19,22H,3-4,7-12,14-15H2,1-2H3,(H,24,26);2*1H
InChIKeyVUPNREODYMWWBO-UHFFFAOYSA-N
MW431.45 g/mol
LogP3.80
Rot. Bonds6

About N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride

N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119846231) has the molecular formula C21H36Cl2N4O and a molecular weight of 431.45 g/mol. Its IUPAC name is N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119846231
Molecular FormulaC21H36Cl2N4O
Molecular Weight431.45 g/mol
Exact Mass430.23
IUPAC NameN-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC1CCN(c2ccc(CNC(=O)CC(C)C3CCCNC3)cn2)CC1.Cl.Cl
InChIInChI=1S/C21H34N4O.2ClH/c1-16-7-10-25(11-8-16)20-6-5-18(13-23-20)14-24-21(26)12-17(2)19-4-3-9-22-15-19;;/h5-6,13,16-17,19,22H,3-4,7-12,14-15H2,1-2H3,(H,24,26);2*1H
InChIKeyVUPNREODYMWWBO-UHFFFAOYSA-N
XLogP3.80
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride with MolForge

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Related Compounds

3-piperidin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride
CID 119399577
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119846267
4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
CID 120595263
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide
CID 119847615
N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705537
N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119712153
ethyl 4-[(3-piperidin-3-ylbutanoylamino)methyl]benzoate;hydrochloride
CID 119746508
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55054509
3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996
N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119869388
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
CID 55746729
N-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide
CID 119852423

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119846231) is N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride is CC1CCN(c2ccc(CNC(=O)CC(C)C3CCCNC3)cn2)CC1.Cl.Cl.
What is the InChIKey of N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is VUPNREODYMWWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O.2ClH/c1-16-7-10-25(11-8-16)20-6-5-18(13-23-20)14-24-21(26)12-17(2)19-4-3-9-22-15-19;;/h5-6,13,16-17,19,22H,3-4,7-12,14-15H2,1-2H3,(H,24,26);2*1H.
What are the key properties of N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 431.45 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119846231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).