[4-(ethylaminomethyl)piperidin-1-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]methanone

C20H27N5O2 — CID 154847439

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]methanone
SMILESCCNCC1CCN(C(=O)c2ccc(Nc3nccc(OC)n3)cc2)CC1
InChIInChI=1S/C20H27N5O2/c1-3-21-14-15-9-12-25(13-10-15)19(26)16-4-6-17(7-5-16)23-20-22-11-8-18(24-20)27-2/h4-8,11,15,21H,3,9-10,12-14H2,1-2H3,(H,22,23,24)
InChIKeyVFADLAJKRSUMSY-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.69
Rot. Bonds7

About [4-(ethylaminomethyl)piperidin-1-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]methanone

[4-(ethylaminomethyl)piperidin-1-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]methanone (PubChem CID 154847439) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]methanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]methanone
PubChem CID154847439
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]methanone
SMILESCCNCC1CCN(C(=O)c2ccc(Nc3nccc(OC)n3)cc2)CC1
InChIInChI=1S/C20H27N5O2/c1-3-21-14-15-9-12-25(13-10-15)19(26)16-4-6-17(7-5-16)23-20-22-11-8-18(24-20)27-2/h4-8,11,15,21H,3,9-10,12-14H2,1-2H3,(H,22,23,24)
InChIKeyVFADLAJKRSUMSY-UHFFFAOYSA-N
XLogP2.69
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-(ethylaminomethyl)piperidin-1-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]methanone with MolForge

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Related Compounds

2-[1-[4-[(4-methoxypyrimidin-2-yl)amino]benzoyl]pyrrolidin-3-yl]acetonitrile
CID 166300069
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
4-[(4-methoxypyrimidin-2-yl)amino]benzoic acid
CID 43378936
(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551597
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 80550753
[4-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875
N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119647060
1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 119646975
[4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119645905
(3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119648224
(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119644683

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]methanone?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]methanone (CID 154847439) is [4-(ethylaminomethyl)piperidin-1-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]methanone.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]methanone?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]methanone is CCNCC1CCN(C(=O)c2ccc(Nc3nccc(OC)n3)cc2)CC1.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]methanone?
The InChIKey is VFADLAJKRSUMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-3-21-14-15-9-12-25(13-10-15)19(26)16-4-6-17(7-5-16)23-20-22-11-8-18(24-20)27-2/h4-8,11,15,21H,3,9-10,12-14H2,1-2H3,(H,22,23,24).
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]methanone?
[4-(ethylaminomethyl)piperidin-1-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]methanone has a molecular weight of 369.47 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]methanone is sourced from PubChem (CID 154847439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).