1-methyl-7-[[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]azepan-2-one

C18H29N5O — CID 126887688

IUPAC1-methyl-7-[[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]azepan-2-one
SMILESCc1cc(NC2CCN(CC3CCCCC(=O)N3C)CC2)ncn1
InChIInChI=1S/C18H29N5O/c1-14-11-17(20-13-19-14)21-15-7-9-23(10-8-15)12-16-5-3-4-6-18(24)22(16)2/h11,13,15-16H,3-10,12H2,1-2H3,(H,19,20,21)
InChIKeyBNSWFKIBMFZBRL-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.06
Rot. Bonds4

About 1-methyl-7-[[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]azepan-2-one

1-methyl-7-[[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]azepan-2-one (PubChem CID 126887688) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-methyl-7-[[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]azepan-2-one.

Molecular Properties

Compound Name1-methyl-7-[[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]azepan-2-one
PubChem CID126887688
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name1-methyl-7-[[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]azepan-2-one
SMILESCc1cc(NC2CCN(CC3CCCCC(=O)N3C)CC2)ncn1
InChIInChI=1S/C18H29N5O/c1-14-11-17(20-13-19-14)21-15-7-9-23(10-8-15)12-16-5-3-4-6-18(24)22(16)2/h11,13,15-16H,3-10,12H2,1-2H3,(H,19,20,21)
InChIKeyBNSWFKIBMFZBRL-UHFFFAOYSA-N
XLogP2.06
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-7-[[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]azepan-2-one with MolForge

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Related Compounds

N-[1-(cyclobutylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887813
N-[1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887815
1-[2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]pyrimidin-2-one
CID 126887717
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
6-methyl-N-[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887894
1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one
CID 126888227
1-methyl-3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one
CID 126887809
6-methyl-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887741
N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine
CID 133490645
6-methyl-N-[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887752
2-[[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864870
6-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887665

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-[[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]azepan-2-one?
The IUPAC name of 1-methyl-7-[[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]azepan-2-one (CID 126887688) is 1-methyl-7-[[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]azepan-2-one.
What is the SMILES notation for 1-methyl-7-[[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]azepan-2-one?
The canonical SMILES for 1-methyl-7-[[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]azepan-2-one is Cc1cc(NC2CCN(CC3CCCCC(=O)N3C)CC2)ncn1.
What is the InChIKey of 1-methyl-7-[[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]azepan-2-one?
The InChIKey is BNSWFKIBMFZBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-14-11-17(20-13-19-14)21-15-7-9-23(10-8-15)12-16-5-3-4-6-18(24)22(16)2/h11,13,15-16H,3-10,12H2,1-2H3,(H,19,20,21).
What are the key properties of 1-methyl-7-[[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]azepan-2-one?
1-methyl-7-[[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]azepan-2-one has a molecular weight of 331.46 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]azepan-2-one is sourced from PubChem (CID 126887688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).