N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide

C20H32N4O3 — CID 172901067

IUPACN-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide
SMILESCOc1c(C)cnc(CN2CCCC(N(C)C(=O)N3CCOCC3)C2)c1C
InChIInChI=1S/C20H32N4O3/c1-15-12-21-18(16(2)19(15)26-4)14-23-7-5-6-17(13-23)22(3)20(25)24-8-10-27-11-9-24/h12,17H,5-11,13-14H2,1-4H3
InChIKeySTHZKMSCPFKDJT-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.06
Rot. Bonds4

About N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide

N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide (PubChem CID 172901067) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide
PubChem CID172901067
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC NameN-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide
SMILESCOc1c(C)cnc(CN2CCCC(N(C)C(=O)N3CCOCC3)C2)c1C
InChIInChI=1S/C20H32N4O3/c1-15-12-21-18(16(2)19(15)26-4)14-23-7-5-6-17(13-23)22(3)20(25)24-8-10-27-11-9-24/h12,17H,5-11,13-14H2,1-4H3
InChIKeySTHZKMSCPFKDJT-UHFFFAOYSA-N
XLogP2.06
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide?
The IUPAC name of N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide (CID 172901067) is N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide?
The canonical SMILES for N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide is COc1c(C)cnc(CN2CCCC(N(C)C(=O)N3CCOCC3)C2)c1C.
What is the InChIKey of N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide?
The InChIKey is STHZKMSCPFKDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-15-12-21-18(16(2)19(15)26-4)14-23-7-5-6-17(13-23)22(3)20(25)24-8-10-27-11-9-24/h12,17H,5-11,13-14H2,1-4H3.
What are the key properties of N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide?
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 172901067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).