3-piperidin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride

C19H32Cl2N4O — CID 119399577

IUPAC3-piperidin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride
SMILESCC(CC(=O)NCc1ccc(N2CCCC2)nc1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C19H30N4O.2ClH/c1-15(17-5-4-8-20-14-17)11-19(24)22-13-16-6-7-18(21-12-16)23-9-2-3-10-23;;/h6-7,12,15,17,20H,2-5,8-11,13-14H2,1H3,(H,22,24);2*1H
InChIKeyCOQGBGNSBKLCHL-UHFFFAOYSA-N
MW403.40 g/mol
LogP3.17
Rot. Bonds6

About 3-piperidin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride

3-piperidin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride (PubChem CID 119399577) has the molecular formula C19H32Cl2N4O and a molecular weight of 403.40 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-piperidin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride
PubChem CID119399577
Molecular FormulaC19H32Cl2N4O
Molecular Weight403.40 g/mol
Exact Mass402.20
IUPAC Name3-piperidin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride
SMILESCC(CC(=O)NCc1ccc(N2CCCC2)nc1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C19H30N4O.2ClH/c1-15(17-5-4-8-20-14-17)11-19(24)22-13-16-6-7-18(21-12-16)23-9-2-3-10-23;;/h6-7,12,15,17,20H,2-5,8-11,13-14H2,1H3,(H,22,24);2*1H
InChIKeyCOQGBGNSBKLCHL-UHFFFAOYSA-N
XLogP3.17
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-piperidin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119846231
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-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 119399620
3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119730353
N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119712153
ethyl 4-[(3-piperidin-3-ylbutanoylamino)methyl]benzoate;hydrochloride
CID 119746508
3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714575
N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119869388
N-[(5-chlorothiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119730060
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119700669

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride?
The IUPAC name of 3-piperidin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride (CID 119399577) is 3-piperidin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-piperidin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride?
The canonical SMILES for 3-piperidin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride is CC(CC(=O)NCc1ccc(N2CCCC2)nc1)C1CCCNC1.Cl.Cl.
What is the InChIKey of 3-piperidin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride?
The InChIKey is COQGBGNSBKLCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.2ClH/c1-15(17-5-4-8-20-14-17)11-19(24)22-13-16-6-7-18(21-12-16)23-9-2-3-10-23;;/h6-7,12,15,17,20H,2-5,8-11,13-14H2,1H3,(H,22,24);2*1H.
What are the key properties of 3-piperidin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride?
3-piperidin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride has a molecular weight of 403.40 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride is sourced from PubChem (CID 119399577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).