1-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-(dimethylamino)propan-1-one

C15H24ClN5O — CID 171586106

IUPAC1-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-(dimethylamino)propan-1-one
SMILESCc1cc(N[C@@H]2CCCN(C(=O)CCN(C)C)C2)nnc1Cl
InChIInChI=1S/C15H24ClN5O/c1-11-9-13(18-19-15(11)16)17-12-5-4-7-21(10-12)14(22)6-8-20(2)3/h9,12H,4-8,10H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyDPRQDSJQLDIDKJ-GFCCVEGCSA-N
MW325.84 g/mol
LogP1.79
Rot. Bonds5

About 1-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-(dimethylamino)propan-1-one

1-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-(dimethylamino)propan-1-one (PubChem CID 171586106) has the molecular formula C15H24ClN5O and a molecular weight of 325.84 g/mol. Its IUPAC name is 1-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-(dimethylamino)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-(dimethylamino)propan-1-one
PubChem CID171586106
Molecular FormulaC15H24ClN5O
Molecular Weight325.84 g/mol
Exact Mass325.17
IUPAC Name1-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-(dimethylamino)propan-1-one
SMILESCc1cc(N[C@@H]2CCCN(C(=O)CCN(C)C)C2)nnc1Cl
InChIInChI=1S/C15H24ClN5O/c1-11-9-13(18-19-15(11)16)17-12-5-4-7-21(10-12)14(22)6-8-20(2)3/h9,12H,4-8,10H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyDPRQDSJQLDIDKJ-GFCCVEGCSA-N
XLogP1.79
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-(dimethylamino)propan-1-one?
The IUPAC name of 1-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-(dimethylamino)propan-1-one (CID 171586106) is 1-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-(dimethylamino)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-(dimethylamino)propan-1-one?
The canonical SMILES for 1-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-(dimethylamino)propan-1-one is Cc1cc(N[C@@H]2CCCN(C(=O)CCN(C)C)C2)nnc1Cl.
What is the InChIKey of 1-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-(dimethylamino)propan-1-one?
The InChIKey is DPRQDSJQLDIDKJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24ClN5O/c1-11-9-13(18-19-15(11)16)17-12-5-4-7-21(10-12)14(22)6-8-20(2)3/h9,12H,4-8,10H2,1-3H3,(H,17,18)/t12-/m1/s1.
What are the key properties of 1-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-(dimethylamino)propan-1-one?
1-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-(dimethylamino)propan-1-one has a molecular weight of 325.84 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-(dimethylamino)propan-1-one is sourced from PubChem (CID 171586106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).